{"id":635,"date":"2020-02-19T17:04:51","date_gmt":"2020-02-19T17:04:51","guid":{"rendered":"http:\/\/qcexval.uv.es\/?page_id=635"},"modified":"2021-04-19T10:56:40","modified_gmt":"2021-04-19T10:56:40","slug":"previous-articles","status":"publish","type":"page","link":"http:\/\/qcexval.uv.es\/?page_id=635","title":{"rendered":"Previous Articles"},"content":{"rendered":"<h2><strong>QCEXVAL publications in 2012:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/978-94-007-0711-5_14\">\u201cCalculation of Excited States: Molecular Photophysics and Photochemistry on Display\u201d<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and J. J. Serrano-P\u00e9rez<br \/>\nIn: <em>\u201cHandbook of Computational Chemistry\u201d<\/em><br \/>\nSpringer-Verlag, Berlin, Heidelberg, pp. 483-560 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.4772187\">\u201cOn the Photophysics and Photochemistry of the Water Dimer\u201d<\/a><\/strong><br \/>\nJ. Segarra-Mart\u00ed, D. Roca-Sanju\u00e1n, M. Merch\u00e1n, and R. Lindh<br \/>\n<em>The Journal of Chemical Physics<\/em>, 137, 244309 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct300153f\">\u201cOn the N<sub>1<\/sub>-H and N<sub>3<\/sub>-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF\/CASPT2 Study\u201d<\/a><\/strong><br \/>\nI. Gonz\u00e1lez-Ram\u00edrez, J. Segarra-Mart\u00ed, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, M. Rubio, and D. Roca-Sanju\u00e1n<br \/>\n<em>The Journal of Chemical Theory and Computation<\/em>, 8, 2769-2776 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.4730301\">\u201cAb initio determination of the ionization potentials of water clusters (H<sub>2<\/sub>O)(n) (n=2-6)\u201d<\/a><\/strong><br \/>\nJ. Segarra-Mart\u00ed, M. Merch\u00e1n, and D. Roca-Sanju\u00e1n<br \/>\n<em>The Journal of Chemical Physics<\/em>, 136, 244306 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.201100200\">\u201cProgress and Challenges in the Calculation of Electronic Excited States\u201d <\/a><\/strong><br \/>\nL. Gonz\u00e1lez, D. Escudero, and L. Serrano-Andr\u00e9s<br \/>\n<em>ChemPhysChem<\/em>, 13, 28-51 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp300583h\">\u201cOn the Deactivation Mechanisms of Adenine-Thymine Base Pair\u201d <\/a><\/strong><br \/>\nJ. P. Gobbo, V. Sauri, D. Roca-Sanju\u00e1n, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, and A. C. Borin<br \/>\n<em>The Journal of Physical Chemistry B<\/em>, 116, 4089-4097 (2012)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ic201726k\">\u201cDistinct Photophysics of the Isomers of B<sub>18<\/sub>H<sub>22<\/sub> Explained\u201d <\/a><\/strong><br \/>\nM. G. S. Londesborough, D. Hnyk, J. Bould, L. Serrano-Andr\u00e9s, V. Sauri, J. M. Oliva, P. Kub\u00e1t, T. Pol\u00edvka, and K. Lang<br \/>\n<em>Inorganic Chemistry<\/em>, 51, 1471-1479 (2012)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2011:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct200646r\">\u201cEssential on the Photophysics and Photochemistry of the lndole Chromophore by Using a Totally Unconstrained Theoretical Approach\u201d<\/a><\/strong><br \/>\nA. Giussani, M. Merch\u00e1n, D. Roca-Sanju\u00e1n, and R. Lindh<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>, 7, 4088-4096 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.23015\">\u201cTwo- and three-state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations\u201d<\/a><\/strong><br \/>\nJ. A. G\u00e1mez, L. Serrano-Andr\u00e9s, and M. Y\u00e1\u00f1ez<br \/>\n<em>International Journal of Quantum Chemistry<\/em>, 111, 3416-3323 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.23079\">\u201cOn the role of the triplet state in the <em>cis\/trans<\/em> isomerization of rhodopsin: A CASPT2\/\/CASSCF study of a model chromophore\u201d<\/a><\/strong><br \/>\nR. Gonz\u00e1lez-Luque, G. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, P. B. Coto, L. Serrano-Andr\u00e9s, and M. Garavelli<br \/>\n<em>International Journal of Quantum Chemistry<\/em>, 111, 3431-3437 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp200297z\">\u201cOn the Relaxation Mechanisms of 6-Azauracil\u201d<\/a><\/strong><br \/>\nJ. P. Gobbo, A. C. Borin, and L. Serrano-Andr\u00e9s<br \/>\n<em>The Journal of Physical Chemistry<\/em>, 115, 6243-6251 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct100478d\">\u201cMulticonfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study\u201d<\/a><\/strong><br \/>\nV. Sauri, L. Serrano-Andr\u00e9s, A. R. M. Shahi, L. Gagliardi, S. Vancoille, and K. Pierloot<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>, 7, 153-168 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-010-0854-z\">\u201cOn the Photoproduction of DNA\/RNA Cyclobutane Pyrimidine Dimers\u201d<\/a><\/strong><br \/>\nI. Gonz\u00e1lez-Ram\u00edrez, D. Roca-Sanju\u00e1n, T. Climent, J. J. Serrano-P\u00e9rez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Theoretical Chemistry Accounts<\/em>, 128, 705-711 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3659294\">\u201cA distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene\u201d<\/a><\/strong><br \/>\nT. G. Schmalz, L. Serrano-Andr\u00e9s, V. Sauri, M. Merch\u00e1n, and J. M. Oliva<br \/>\n<em>The Journal of Chemical Physics<\/em>, 135, 194103 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1039\/C1CP21089K\">\u201cIntramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism\u201d<\/a><\/strong><br \/>\nP. B. Coto, L. Serrano-Andr\u00e9s, T. Gustavsson, T. Fujiwara, and E. C. Lim<br \/>\n<em>Physical Chemistry Chemical Physics<\/em>, 13, 15182-15188 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.23116\">\u201cOrganic Spectroscopy Under Bj\u00f6rn O. Roos\u201d<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s<br \/>\n<em>International Journal of Quantum Chemistry<\/em>, 111, 3284-3290 (2011)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.23114\">\u201cIn Remembrance of Dr. Luis Serrano-Andr\u00e9s\u201d <\/a><\/strong><br \/>\nM. Merch\u00e1n<br \/>\n<em>International Journal of Quantum Chemistry<\/em>, 111, 3261-3262 (2011)<\/li>\n<li><strong><a href=\"https:\/\/www.novapublishers.com\/catalog\/product_info.php?products_id=32207&amp;osCsid=\">\u201cMolecular Basis of the Phototherapy of Furocoumarins: A Theoretical Study\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and J. J. Serrano-P\u00e9rez.<br \/>\nIn: <em>\u201cPsoriasis: Causes, Diagnosis and Treatment\u201d.<\/em><br \/>\nEd. J. A. Carrasco. Nova Science Publishers (2011), pp. 1-61<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1039\/9781849730860-00010\">\u201cRecent Trends in Computational Photochemistry\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, D. Roca-Sanju\u00e1n, and G. Olaso-Gonz\u00e1lez,<br \/>\nIn: <em>\u201cPhotochemistry\u201d. Series: Specialist Periodical Reports, Vol. 38, pp. 10-36,<\/em><br \/>\nEd. A. Albini, Royal Society, London (2011)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2010:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct100471k\">\u201cOn the Electronic Structure of H-Ng-Ng-F (Ng = Ar, Kr, Xe) and the Nonlinear Optical Properties of HXe<sub>2<\/sub>F\u201d<\/a><\/strong><br \/>\nA. Avramopoulos, L. Serrano-Andr\u00e9s, J. Li, and G. Papadopoulos<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>, 6, 3365-3372 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.21318\">\u201cMOLCAS 7: The Next Generation\u201d .<\/a><\/strong><br \/>\nF. Aquilante, L. De Vico, N. Ferr\u00e9, G. Ghigo, P-.A. Malmqvist, T. Pedersen, M. Pitonak, M. Reiher, B. O. Roos, L. Serrano-Andr\u00e9s, M. Urban, V. Veryazov, and R. Lindh,<br \/>\n<em>Journal of Computational Chemistry<\/em>, 31, 224-247 (2010)<br \/>\n<em><strong>Article Selected as Journal Cover<\/strong><\/em><\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-009-0626-9\">\u201cModeling Hole Transfer in DNA. II. Molecular Basis of Charge Transport in the DNA Chain\u201d<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, G. Olaso-Gonz\u00e1lez, P. B. Coto, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Theoretical Chemistry Accounts<\/em>, 126, 177-183 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1039\/b917679a\">\u201cElectron Capture Activation of the Disulfide Bond. The Role of Asymmetry and Electronegativity\u201d<\/a><\/strong><br \/>\nJ. A. G\u00e1mez, M. Y\u00e1\u00f1ez, and L. Serrano-Andr\u00e9s<br \/>\n<em>Physical Chemistry Chemical Physics<\/em>, 12, 1042-1050 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200900654\">\u201cUltrafast Decay of the Excited Singlet States of Thioxanthone by Internal Conversion and Intersystem Crossing\u201d<\/a><\/strong><br \/>\nG. Angulo, J. Grilj, E. Vauthey, L. Serrano-Andr\u00e9s, O. Rubio-Pons, and P. Jacques<br \/>\n<em>ChemPhysChem<\/em>, 11, 480-488 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct900612k\">\u201cCalibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies\u201d<\/a><\/strong><br \/>\nJ. Bostr\u00f6m, M. G. Delcey, F. Aquilante, L. Serrano-Andr\u00e9s, T. B. Pedersen, and R. Lindh<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>,6, 747-754 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2010.04.048\">\u201cPhotophysics and Photostability of Adenine in Aqueous Solution: A Theoretical Study\u201d.<\/a><\/strong><br \/>\nV. Ludwig, Z. M. Da Costa, M. S. Do Amaral, A. C. Borin, S. Canuto, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Chemical Physics Letters<\/em>, 492, 164-169 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct100164m\">\u201cSinglet-Triplet States Interaction Regions in DNA\/RNA Nucleobase Hypersurfaces\u201d.<\/a><\/strong><br \/>\nR. Gonz\u00e1lez-Luque, T. Climent, I. Gonz\u00e1lez-Ram\u00edrez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>, 6, 2103-2114 (2010)<\/li>\n<li><strong><a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jz100601p\">\u201cCyclobutane Pyrimidine Photodimerization of DNA\/RNA Nucleobases in the Triplet State\u201d.<\/a><\/strong><br \/>\nT. Climent, I. Gonz\u00e1lez-Ram\u00edrez, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s,<br \/>\n<em>The Journal of Physical Chemistry Letters<\/em>, 1, 2072-2076 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1039\/b925059j\">\u201cThioxanthone: On the Shape of the First Absorption Band\u201d.<\/a><\/strong><br \/>\nV. Rai-Constapel, M. Kleinschmidt, S. Salzmann, L. Serrano-Andr\u00e9s, and C. M. Marian,<br \/>\n<em>Physical Chemistry Chemical Physics<\/em>, 12, 9320-9327 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.201000320\">\u201cAsymmetry and Non-Adiabaticity in Fragmentation of Disulfide Bonds upon Electron Capture\u201d.<\/a><\/strong><br \/>\nJ. A. G\u00e1mez, L. Serrano-Andr\u00e9s, and M. Y\u00e1\u00f1ez<br \/>\n<em>ChemPhysChem<\/em>, 11, 2530-2538 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2010.08.018\">\u201cEnergy Landscapes in Diexo and Endo,Exo Isomers Derived from Li<sub>2<\/sub>B<sub>12<\/sub>H<sub>12<\/sub>\u201c.<\/a><\/strong><br \/>\nJ. M. Oliva, A. Fern\u00e1ndez-Barbero, L. Serrano-Andr\u00e9s, M. Canle-L., J. A. Santaballa, and M. I. Fern\u00e1ndez<br \/>\n<em>Chemical Physics Letters<\/em>, 497, 172-177 (2010)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1039\/c0cp00760a\">\u201cTheoretical Investigations of the IR Spectroscopy of Ni (C<sub>2<\/sub>S<sub>2<\/sub>H<sub>2<\/sub>)<sub>2<\/sub>. A Case Study of the P_VMWCI<sub>2<\/sub> Algorithm Including Anharmonic Effects\u201d.<\/a><\/strong><br \/>\nD. B\u00e9gu\u00e9, P. Lab\u00e9guerie, D. Y. Zhang-Negrerie, A. Avramopoulos, L. Serrano-Andr\u00e9s, and M. Papadopoulos<br \/>\n<em>Physical Chemistry Chemical Physics<\/em>, 12, 13746-13751 (2010)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2009:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.jphotochemrev.2008.12.001\">\u201cAre the Five Natural DNA\/RNA Base Monomers a Good Choice from Natural Selection? A Photochemical Perspective\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n<br \/>\n<em>Journal of Photochemistry and Photobiology C: Photochemistry Reviews<\/em>, 10, 21-32 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ja808280j\">\u201cThe Role of Adenine Excimers in the Photophysics of Oligonucleotides\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of the American Chemical Society<\/em>, 131, 4368-4677 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ja808424b\">\u201cElectrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: on the Role of Counterion Quenching\u201d.<\/a><\/strong><br \/>\nG. Tomasello, G. Olaso-Gonz\u00e1lez, P. Alto\u00e8, M. Stenta, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, G. Orlandi, A. Bottoni, and M. Garavelli<br \/>\n<em>Journal of the American Chemical Society<\/em>, 131, 5172-5186 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp806105h\">\u201cDetermination of the Electron-Detachment Energies of 2\u2032-Deoxyguanosine 5\u2032-Monophosphate Anion: Influence of the Conformation\u201d.<\/a><\/strong><br \/>\nM. Rubio, D. Roca-Sanju\u00e1n, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n<br \/>\n<em>The Journal of Physical Chemistry B<\/em>, 113, 2451-2457 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1351\/PAC-CON-08-08-31\">\u201cThe Role of Pyrimidine Nucleobases Excimers in DNA Photoreactivity\u201d.<\/a><\/strong><br \/>\nI. Gonz\u00e1lez-Ram\u00edrez, T. Climent, J. J. Serrano-P\u00e9rez, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Pure &amp; Applied Chemistry<\/em>, 81, 1695-1705 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1351\/PAC-CON-08-08-30\">\u201cDNA Nucleobases Properties and Photoreactivity: Modeling Environmental Effects\u201d.<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, Gloria Olaso-Gonz\u00e1lez, M. Rubio, P. B. Coto, M. Merch\u00e1n, N. Ferr\u00e9, V. Ludwig, and L. Serrano-Andr\u00e9s<br \/>\n<em>Pure &amp; Applied Chemistry<\/em>, 81, 743-754 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1351\/PAC-CON-08-09-18\">\u201cDesign of Carborane Molecular Architectures with Electronic Strucuture Calculations: From Endohedral and Polyradical Systems to Multidimensional Networks\u201d.<\/a><\/strong><br \/>\nJ. M. Oliva, D. Klein, P. v. R. Schleyer, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Pure &amp; Applied Chemistry<\/em>, 81, 719-729 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.theochem.2009.01.033\">\u201cOn the Electronic Structure of a Dianion, a Radical Anion, and a Neutral Biradical Carborane Dimer\u201d .<\/a><\/strong><br \/>\nJ M. Oliva, L. Serrano-Andr\u00e9s, Z. Havlas, and J. Michl,<br \/>\n<em>Journal of Molecular Structrure, Theochem<\/em>, 912, 13-20 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.chemphys.2009.04.014\">\u201cSinglet Oxygen Generation in PUVA Therapy Studied using Electronic Structure Calculations\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, G. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Chemical Physics<\/em>, 360, 85-96 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp904669x\">\u201cDeciphering Intrinsic Deactivation\/Isomerization Routes in a Phytochrome Chromophore Model\u201d.<\/a><\/strong><br \/>\nP. Alto\u00e8, T. Climent, G. De Fusco, M. Stenta, A. Botoni, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, G. Orlandi, and M. Garavelli,<br \/>\n<em>The Journal of Physical Chemistry B<\/em>, 113, 15067-15073 (2009)<br \/>\n<em><strong>Article Selected as Journal Cover<\/strong><\/em><\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3173609\">\u201cDo Fluorescence and Transient Absorption Probe the Same Intramolecular Charge Transfer State of 4-(Dimethylamino)benzonitrile?\u201d.<\/a><\/strong><br \/>\nT. Gustavsson, P. B. Coto, L. Serrano-Andr\u00e9s, T. Fujiwara, and E. C. Lim,<br \/>\n<em>Journal of Chemical Physics<\/em>, 131, 031101 (2009)<br \/>\n<em><strong>Article Selected as Journal Cover<\/strong><\/em><\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3238234\">\u201cLinear and Nonlinear Optical Properties of a Series of Ni-dithiolene Derivatives\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, A. Avramopoulos, J. Li, P. Lab\u00e9guerie, D. B\u00e9gu\u00e9, V. Kell\u00f6, and M. G. Papadopoulos,<br \/>\n<em>Journal of Chemical Physics<\/em>. 131, 134312 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct900401z\">\u201cTowards Understanding the Photochemistry of Photoactive Yellow Protein: A CASPT2\/CASSCF and Quantum Theory of Atoms in Molecules Combined Study of a Model Chromophore in vacuo\u201d.<\/a><\/strong><br \/>\nP. B. Coto, D. Roca-Sanju\u00e1n, L. Serrano-Andr\u00e9s, A. M. Pend\u00e1s. S. Mart\u00ed, and J. Andr\u00e9s,<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>, 5, 3032-3038 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp9058752\">\u201cPhotophysics of 1-Aminonaphthalene: a Theoretical and Time-Resolved Experimental Study\u201d.<\/a><\/strong><br \/>\nR. Montero, A. Longarte, \u00c1. Peralta-Conde, F. Casta\u00f1o, I. Gonz\u00e1lez-Ram\u00edrez, A. Giussani, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n,<br \/>\n<em>Journal of Physical Chemistry A<\/em>, 113, 13509-13518 (2009)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1155\/2009\/292393\">\u201cDesign of Carborane Molecular Architectures with Electronic Structure Calculations\u201d.<\/a><\/strong><br \/>\nJ. M. Oliva, L. Serrano-Andr\u00e9s, D. J. Klein, P. v. R. Schleyer, and J. Michl,<br \/>\n<em>International Journal of Photoenergy<\/em>, 2009, 292393 (2009)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2008:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ja0744450\">\u201cA Three-State Model for the Photophysics of Guanine\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, and A. C. Borin<br \/>\n<em>Journal of the American Chemical Society<\/em>. 130, 2473-2484 (2008)<\/li>\n<li><strong><a href=\"http:\/\/www.springer.com\/chemistry\/book\/978-1-4020-8183-5\">\u201cPhotostability and Photoreactivity in Biomolecules: Quantum Chemistry of Nucleic Acid Base Monomers and Dimers\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n.<br \/>\nIn: \u201cRadiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis\u201d.<br \/>\nEds. M. K. Shukla and J. Leszczynski, Springer, The Netherlands, Chapter 16, pp 435-472 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2837827\">\u201cExcited States of the Water Molecule: Analysis of the Valence and Rydberg Character\u201d.<\/a><\/strong><br \/>\nM. Rubio, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n<br \/>\n<em>Journal of Chemical Physics <\/em>, 128, 104305-1-12 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ja0749082\">Relationship between the Excited State Relaxation Paths of Rhodopsin and Isorhodopsin\u201d.<\/a><\/strong><br \/>\nA. Strambi, P. B. Coto, L. M. Frutos, N. Ferr\u00e9, and M. Olivucci<br \/>\n<em>Journal of the American Chemical Society<\/em>, 130, 3382-3388 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.chemphys.2007.09.037\">\u201cToroidal Electric Ring Currents and Magnetic Fields in Oriented Linear Molecules<br \/>\nInduced by Circularly Polarized Laser Pulses: Quantum Ab Initio Simulations for AlCl\u201d. <\/a><\/strong><br \/>\nI. Barth, J. Manz, and L. Serrano-Andr\u00e9s<br \/>\n<em>Chemical Physics<\/em>, 347, 263-271 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.chemphys.2007.10.011\">\u201cPhotosensitization and Phototherapy with Furocoumarins: a Quantum Chemical Study\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Chemical Physics<\/em>, 347, 422-435 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.chemphys.2008.03.035\">\u201cEffect of Opsin on the Shape of the Potential Energy Surface at the Conical Instersection of the Rhodopsin Chromophore\u201d.<\/a><\/strong><br \/>\nP. B. Coto, A. Strambi, and M. Olivucci<br \/>\n<em>Chemical Physics<\/em>, 347, 483-491 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.chemphys.2008.02.026\">\u201cModeling Hole Transfer in DNA: Low-lying Excited States of Oxidized Cytosine Homodimer and Cytosine-Adenine Heterodimer\u201d.<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Chemical Physics<\/em>, 349, 188-196 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dialnet.unirioja.es\/servlet\/articulo?codigo=2718148\">\u201cOn the Effect of Radical Character, Substitution, and Atom Encapsulation on the Volume of Icosahedral (Car)boranes\u201d<\/a><\/strong><br \/>\nD. J. Klein, J. I. Burgos, L. Serrano-Andr\u00e9s, and J. M. Oliva<br \/>\n<em>Afinidad LXV<\/em>, 533, 32-38 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp711396b\">\u201cOrigin of the Absorption Maxima of the Photoactive Yellow Protein resolved via ab initio Multiconfigurational Methods\u201d.<\/a><\/strong><br \/>\nP. B. Coto, S. Mart\u00ed, M. Oliva, M. Olivucci, M. Merch\u00e1n, and J. Andr\u00e9s<br \/>\n<em>Journal of Physical Chemistry B<\/em>. 112, 7153-7156 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ja803068n\">\u201cMolecular Basis of DNA Photodimerization: Intrinsic Production of Cyclobutane Cytosine Dimers\u201d.<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, G. Olaso-Gonz\u00e1lez, I. Gonz\u00e1lez-Ram\u00edrez, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n<br \/>\n<em>Journal of the American Chemical Society<\/em>. 130, 10768-10779 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.jphotochem.2008.04.013\">\u201cThe Family of Furocoumarins: Looking For the Best Photosensitizer for Phototherapy\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano- Andr\u00e9s<br \/>\n<em>Journal of Photochemistry and Photobiology A: Chemistry<\/em>. 199, 34-41 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct800150h\">\u201cWhat Electronic Structures and Geometries of Carborane Mono- and ortho-, meta-, and para-Diradicals are Preferred?\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, D. Klein, P. v. R. Schleyer, and J. M. Oliva<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>. 4, 1338-1347 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2958286\">\u201cAb Initio Determination of the Electron Affinities of DNA and RNA Nucleobases\u201d.<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, M. Merch\u00e1n, L. Serrano-Andr\u00e9s, and M. Rubio<br \/>\n<em>Journal of Chemical Physics<\/em>. 129, 095104 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2008.08.031\">\u201c2-Aminopurine Nonradiative Decay and Emission in Aqueous Solution: A Theoretical Study\u201d.<\/a><\/strong><br \/>\nV. Ludwig, M. S. Amaral, Z. M. Costa, A. C. Borin, S. Canuto, and L. Serrano-Andr\u00e9s<br \/>\n<em>Chemical Physics Letters<\/em>. 463, 201-205 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2994737\">\u201cNonadiabatic Orientation, Toroidal Current, and Induced Magnetic Field in BeO Molecules\u201d.<\/a><\/strong><br \/>\nI. Barth, L. Serrano-Andr\u00e9s, and T. Seideman<br \/>\n<em>Journal of Chemical Physics<\/em>. 129, 164303-1,12 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp805523d\">\u201cPhotoreactivity of Furocoumarins and DNA in PUVA Therapy: Formation of Psoralen-Thymine Adducts\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of Physical Chemistry B<\/em>. 112, 14002-14010 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp806794x\">\u201cTheoretical Insight into the Intrinsic Ultrafast Formation of Cyclobutane Pyrimidine Dimers in UV-Irradiated DNA: Thymine versus Cytosine\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, I. Gonz\u00e1lez-Ram\u00edrez, P. B. Coto, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of Physical Chemistry B<\/em>. 112, 14096-14098 (2008)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200800454\">\u201cRydberg or Valence? The Long-Standing Question in the UV-Absorption Spectrum of 1,1\u2032-Bicyclohexyliden\u201d.<\/a><\/strong><br \/>\nG. P\u00e9rez-Hern\u00e1ndez, L. Gonz\u00e1lez, and L. Serrano-Andr\u00e9s<br \/>\n<em>ChemPhysChem<\/em>. 9, 2544-2549 (2008)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2007:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2800023\">\u201cLinear and Nonlinear Optical Properties of Some Organo-Xenon Derivatives\u201d.<\/a><\/strong><br \/>\nA. Avramopoulos, L. Serrano-Andr\u00e9s, J. Li, H. Reis, and M. G. Papadopoulos,<br \/>\n<em>Journal of Chemical Physics<\/em>. 127, 214102 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2827037\">\u201cBioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, D. Roca-Sanju\u00e1n, G. Olaso-Gonz\u00e1lez, and M. Rubio<br \/>\n<em>AIP Conference Proceedings<\/em>. 963, 526-532 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2836185\">\u201cUltrafast Electron Transfer in Photosynthesis: Reduced Pheophytin and Quinone Interaction Mediated by Conical Intersections\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>AIP Conference Proceedings<\/em>. 963, 706-709 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2836186\">\u201cToward an Understanding of the Spectral Tuning in Rhodopsin\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, G. Tomasello, P. Altoe, M. Stenta, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, and M. Garavelli<br \/>\n<em>AIP Conference Proceedings<\/em>. 963, 710-712 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2836192\">\u201cRetinal Photoisomerization in Rhodopsin: Electrostatic and Steric Catalysis\u201d.<\/a><\/strong><br \/>\nG. Tomasello, P. Altoe, G. Olaso-Gonz\u00e1lez, M. Garavelli, and G. Orlandi<br \/>\n<em>AIP Conference Proceedings<\/em>. 963, 727-730 (2007)<\/li>\n<li><strong><a href=\"http:\/\/www.teokem.lu.se\/molcas\">\u201cMOLCAS 7.0. A Quantum Chemistry Package\u201d.<\/a><\/strong><br \/>\nK. Andersson, F. Aquilante, M. Barysz, E. Bednarz, A. Bernhardsson, M. R .A. Blomberg, Y. Carissan, D. L. Cooper, M. Cossi, A. Devarajan, L. De Vico, N. Ferr\u00e9, M. P. F\u00fclscher, A. Gaenko, L. Gagliardi, G. Ghigo, C. de Graaf, B. A. Hess, D. Hagberg, A. Holt, G. Karlstr\u00f6m, J. W. Krogh, R. Lindh, P.-A. Malmqvist, T. Nakajima, P. Neogr\u00e1dy, J. Olsen, T. B. Pedersen, J. Raab, M. Reiher, B. O. Roos, U. Ryde, B. Schimmelpfennig, M. Sch\u00fctz, L. Seijo, L. Serrano-Andr\u00e9s, P. E. M. Siegbahn, J. Stalring, T. Thorsteinsson, V. Veryazov, P.-O. Widmark, and A. Wolf.,<br \/>\n<em>University of Lund, Lund, Sweden<\/em>. (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp0765446\">\u201cOn the Intrinsic Population of the Lowest Triplet State of Thymine\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Journal of Physical Chemistry B<\/em>. 111, 11880-11883 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/s11120-007-9197-6\">\u201cUltrafast Electron Transfer in Photosynthesis: Reduced Pheophytin and Quinone Interaction Mediated by Conical Intersections\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Photosynthesis Research<\/em>. 91, 199-199 PS548 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/ct700042z\">\u201cWhat is the Limit of Atom Encapsulation for Icosahedral Carboranes?\u201d.<\/a><\/strong><br \/>\nV. Manero, J. M. Oliva, L. Serrano-Andr\u00e9s, and D. J. Klein<br \/>\n<em>Journal of Chemical Theory and Computation<\/em>. 3, 1399-1404 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2007.05.040\">\u201cOn the Intrinsic Population of the Lowest Triplet State of Uracil\u201d.<\/a><\/strong><br \/>\nT. Climent, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s,<br \/>\n<em>Chemical Physics Letters<\/em>. 441, 327-331 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp072575p\">\u201cHydrogen transfer versus Proton Transfer in 7-Hydroxyquinoline (NH<small><sub>3<\/sub><\/small>) <sub><small><small>3<\/small><\/small><\/sub>. A CASSCF\/CASPT2 Study\u201d<\/a><\/strong><br \/>\nA. Fern\u00e1ndez-Ramos, E. Mart\u00ednez-N\u00fa\u00f1ez, S. A. V\u00e1zquez, M. A. R\u00edos, C. Est\u00e9vez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of the Physical Chemistry A<\/em>. 111, 5907-5912 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-007-0259-9\">About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis\u201d.<\/a><\/strong><br \/>\nA. Cembran, R. Gonz\u00e1lez-Luque, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, and M. Garavelli<br \/>\n<em>Theoretical Chemistry Accounts<\/em>. 118, 173-183 (2007)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2006.11.086\">\u201cQuantum Chemical Study on the Population of the Lowest Triplet State of Psoralen\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s<br \/>\n<em>Chemical Physics Letters<\/em>. 434, 107-110 (2007)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2006:<\/strong><\/h2>\n<ul>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1073\/pnas.0602991103\">\u201cAdenine and 2-Aminopurine: Paradigms of Modern Theoretical Photochemistry\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, and A. C. Borin.<br \/>\n<em>Proceedings of the National Academy of Sciences USA<\/em>, 103, 8691-8696 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/chem.200501515\">\u201cA Three-State Model for the Photophysics of Adenine\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, and A. C. Borin.<br \/>\n<em>Chemistry. A European Journal<\/em>, 12, 6559-6571 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp0618429\">\u201cDetermination of the Lowest-Energy Oxidation Site in Nucleotides: 2\u2032-Deoxythymidine 5\u2032-Monophosphate Anion\u201d.<\/a><\/strong><br \/>\nM. Rubio, D. Roca-Sanju\u00e1n, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s.<br \/>\n<em>Journal of Physical Chemistry B<\/em>, 110, 10234-10235 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2178794\">\u201cA Theoretical Insight into the Photophysics of Psoralen\u201d.<\/a><\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n,<br \/>\n<em>Journal of Chemical Physics<\/em>, 124, 124502-1-7 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2336217\">\u201cAb Initio Determination of the Ionization Potentials of DNA and RNA Nucleobases\u201d.<\/a><\/strong><br \/>\nD. Roca-Sanju\u00e1n, M. Rubio, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s.<br \/>\n<em>Journal of Chemical Physics<\/em>. 125, 084302-1-7 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2005.11.041\">\u201cTheoretical CASPT2 Study of the Excited State Double Proton Transfer Reaction in the 7-Azaindole Dimer\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n,<br \/>\n<em>Chemical Physics Letters<\/em>, 418, 569-575 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.20967\">\u201cTheoretical Absorption and Emission Spectra of 2-Aminopurine in Vapor and in Water\u201d.<\/a><\/strong><br \/>\nA. C. Borin, L. Serrano-Andr\u00e9s, V. Ludwig, K. Coutinho, and S. Canuto.<br \/>\n<em>International Journal of Quantum Chemistry<\/em>. 106, 2564-2577 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.20359\">\u201cA Computational Study of the Lowest Singlet and Triplet States of Neutral and Dianionic 1,2-Substituted Icosahedral and Octahedral o-Carboranes\u201d. <\/a><\/strong><br \/>\nJ. M. Oliva and L. Serrano-Andr\u00e9s,<br \/>\n<em>Journal of Computational Chemistry<\/em>, 27, 524-535 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.jphotochem.2005.08.033\">\u201cA Butterfly-like Motion as a Clue to the Photophysics of Thioxanthone\u201d.<\/a><\/strong><br \/>\nO. Rubio-Pons, L. Serrano-Andr\u00e9s, D. Burget, and P. Jacques,<br \/>\n<em>Journal of Photochemistry and Photobiology A: Chemistry<\/em>, 179, 298-304 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-006-0109-1\">\u201cIs the CH<sub>2<\/sub>OH + O<sub>2<\/sub>\u2013&gt; CH<sub>2<\/sub>=O + HO<sub>2<\/sub> Reaction Barrierless? An Ab Initio Study on the Reaction Mechanism\u201d.<\/a><\/strong><br \/>\nV. M. Ram\u00edrez-Ram\u00edrez, L. Serrano-Andr\u00e9s, and I. Nebot-Gil,<br \/>\n<em>Theoretical Chemistry Accounts<\/em>, 116, 637-640 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2006.10.077\">\u201cPhotochemical Window Mechanism for Atom Release in Carborane Endohedral Boxes: Theoretical Evidence\u201d.<\/a><\/strong><br \/>\nL. Serrano-Andr\u00e9s and J. M. Oliva<br \/>\n<em>Chemical Physics Letters<\/em>, 432, 235-239 (2006)<\/li>\n<li><strong>\u201cPropiedades Fotof\u00edsicas del Psoraleno\u201d.<\/strong><br \/>\nJ. J. Serrano-P\u00e9rez, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n,<br \/>\n<em>Bolet\u00edn del Grupo Espa\u00f1ol de Fotobiolog\u00eda<\/em>. 19, 1-3 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp063915u\">\u201cUltrafast Electron Transfer in Photosynthesis: Reduced Pheophytin and Quinone Interaction Mediated by Conical Intersections\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s.<br \/>\n<em>Journal of Physical Chemistry B<\/em>, 110, 24734-24739 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp065772h\">\u201cTheoretical Insight into the Spectroscopy and Photochemistry of Isoalloxazine, the Flavin Core Ring\u201d.<\/a><\/strong><br \/>\nT. Climent, R. Gonz\u00e1lez-Luque, M. Merch\u00e1n, and L. Serrano-Andr\u00e9s.<br \/>\n<em>Journal of Physical Chemistry A<\/em>, 110, 13584-13590 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2408411\">\u201cToward the Understanding of DNA Fluorescence: The Singlet Excimer of Cytosine\u201d.<\/a><\/strong><br \/>\nG. Olaso-Gonz\u00e1lez, D. Roca-Sanju\u00e1n, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n.<br \/>\n<em>Journal of Chemical Physics<\/em>, 125, 231102-1-4 (2006)<\/li>\n<li><strong><a href=\"http:\/\/dx.doi.org\/10.1021\/jp066874a\">\u201cUnified Model for the Ultrafast Decay of Pyrimidine Nucleobases\u201d.<\/a><\/strong><br \/>\nM. Merch\u00e1n, R. Gonz\u00e1lez-Luque, T. Climent, L. Serrano-Andr\u00e9s, E. Rodr\u00edguez, M. Reguero, and D. Pel\u00e1ez.<br \/>\n<em>Journal of Physical Chemistry B<\/em>, 110, 26471-26476 (2006)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2005:<\/strong><\/h2>\n<ul>\n<li><a href=\"http:\/\/dx.doi.org\/10.1016\/S1380-7323(05)80019-6\"><strong>\u201cAb Initio Methods for Excited States\u201d.<\/strong><\/a><br \/>\nM. Merch\u00e1n and L. Serrano-Andr\u00e9s,<br \/>\nIn:<strong>\u201cComputational Photochemistry\u201d.<\/strong><br \/>\nEd. M. Olivucci, Elsevier, Amsterdam (2005) Vol. 16, pp. 35-91.<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1063\/1.1866096\"><strong>\u201cComputation of Conical Intersections by Using Perturbation Techniques\u201d.<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, and R. Lindh,<br \/>\n<em>Journal of Chemical Physics<\/em>, 122, 104107-1-10 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1021\/ja044371h\"><strong>\u201cTriplet-State Formation Along the Ultrafast Decay of Excited Singlet Cytosine\u201d.<\/strong><\/a><br \/>\nM. Merch\u00e1n, L. Serrano-Andr\u00e9s, M. A. Robb, and L. Blancafort<br \/>\n<em>Journal of the American Chemical Society<\/em>, 127, 1820-1825 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200400349\"><strong>\u201cOn the Low-lying Excited States of sym-Triazine-Based Herbicides\u201d.<\/strong><br \/>\n<\/a>J. M. Oliva, M. E. D. G. Azenha, H. D. Burrows, R. Coimbra, J. S. Seixas de Melo, M. Canle L., M. I. Fern\u00e1ndez, J. A. Santaballa, and L. Serrano-Andr\u00e9s<br \/>\n<em>ChemPhysChem<\/em>, 6, 306-314 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1016\/j.theochem.2005.03.020\"><strong>\u201cQuantum Chemistry of the Excited State: 2005 Overview\u201d.<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n<br \/>\n<em>Journal of Molecular Structure, Theochem<\/em>, 729, 99-108 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200400464\"><strong>\u201cTheoretical study of the electronic excited states of tetracyanoethylene and its radical anion\u201d.<\/strong><\/a><br \/>\nB. Mili\u00e1n, R. Pou-Am\u00e9rigo, M. Merch\u00e1n, and E. Ort\u00ed<br \/>\n<em>ChemPhysChem<\/em>, 6, 503-510 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200400487\"><strong>\u201cA Theoretical Study on the Low-lying Excited States of 2,2\u2032:5\u2032,2\u201d-Terthiophene and 2,2\u2032:5\u2032,2\u201d:5\u201d,2\u201d\u2019- Quaterthiophene\u201d.<\/strong><\/a><br \/>\nM. Rubio, M. Merch\u00e1n, and E. Ort\u00ed<br \/>\n<em>ChemPhysChem<\/em>, 6, 1357-1368 (2005)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1021\/jp052068c\"><strong>\u201cStructure, Spectroscopy, and Spectral Tuning of the Gas-phase Retinal Chromophore: The Beta-Ionone \u2018Handle\u2019 and Alkyl Group Effect\u201d.<\/strong><\/a><br \/>\nA. Cembran, R. Gonz\u00e1lez-Luque, P. Altoe, M. Merch\u00e1n, F. Bernardi, M. Olivucci, and M. Garavelli<br \/>\n<em>Journal of Physical Chemistry A<\/em>, 109, 6597-6605 (2005)<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2004:<\/strong><\/h2>\n<ul>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/0470845015.cu0036\"><strong>\u201cSpectroscopy: Applications\u201d.<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n<br \/>\n\u201cEncyclopedia of Computational Chemistry\u201d. Eds. P. v. R. Schleyer, W. L. Jorgensen, H. F. Schaeffer III, P. R. Schreiner, W. Thiel, and R. Glen, Wiley, Chichester (2004)<\/li>\n<\/ul>\n<ul>\n<li><a href=\"http:\/\/dialnet.unirioja.es\/servlet\/articulo?codigo=990456\"><strong>\u201cVida y Luz: Una Perspectiva Qu\u00edmico-Cu\u00e1ntica\u201d.<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s and M. Merch\u00e1n<br \/>\n<em>Anales de Qu\u00edmica<\/em>, 100 (3), 16-31 (2004)<\/li>\n<\/ul>\n<ul>\n<li><a href=\"http:\/\/dx.doi.org\/10.1063\/1.1631418\"><strong>\u201cA theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from pi,pi* triplet donors to 1,3,5,7- cyclooctatetraene\u201d<\/strong><\/a><br \/>\nL. M. Frutos, O. Casta\u00f1o, J. L. Andr\u00e9s, M. Merch\u00e1n, and A. U. M. Acu\u00f1a<br \/>\n<em>Journal of Chemical Physics<\/em>, 120, 1208-1216 (2004)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1063\/1.1772357\"><strong>\u201cMulticonfigurational Second-Order Perturbation Study of the Decomposition of the Radical Anion of Nitromethane\u201d<\/strong><\/a><br \/>\nJ. F. Arenas, J. C. Otero, D. Pel\u00e1ez, J. Soto, and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of Chemical Physics<\/em>, 121, 4127-4132 (2004)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.20166\"><strong>\u201cMOLCAS as a Development Platform for Quantum Chemical Applications\u201d<\/strong><\/a><br \/>\nV. Veryazov, P. -O. Widmark, L. Serrano-Andr\u00e9s, R. Lindh, and B. O. Roos<br \/>\n<em>International Journal of Quantum Chemistry<\/em>, 100, 626-635 (2004)<\/li>\n<li><a href=\"http:\/\/www.teokem.lu.se\/molcas\"><strong>\u201cMOLCAS Version 6.0. A quantum chemistry package\u201d.<\/strong><\/a><br \/>\nK. Andersson, M. Baryz, A. Bernhardsson, M. R. A. Blomberg, Y. Carissan, D. L. Cooper, M. Cossi, M. P. F\u00fclscher, L. Gagliardi, C. de Graaf, B. Hess, G. Karlstr\u00f6m, J. Krogh, R. Lindh, P.-A. Malmqvist, T. Nakajima, J. Olsen, J. Raab, B. O. Roos, B. Schimmelpfennig, M. Sch\u00fctz, L. Seijo, L. Serrano-Andr\u00e9s, P. E. Siegbahn, J. Stalring, T. Thorsteinsson, V. Veryazov, and P.-O. Widmark, <a href=\"http:\/\/www.teokem.lu.se\/molcas\/documentation.html\"><strong>\u201cMOLCAS Version 6.0. Tutorials and Examples\u201d.<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s and N. W. Moriarty,<br \/>\nDept. of Theor. Chem., Univ. of Lund, P.O.B. 124, S-221 00 Lund, Sweden, 2004<\/li>\n<\/ul>\n<h2><strong>QCEXVAL publications in 2003:<\/strong><\/h2>\n<ul>\n<li><a href=\"http:\/\/dx.doi.org\/10.1021\/ja0351600\"><strong>\u201cUltrafast Internal Conversion of Excited Cytosine via the Lowest pipi* Electronic Singlet State\u201d<\/strong><\/a><br \/>\nM. Merch\u00e1n and L. Serrano-Andr\u00e9s<br \/>\n<em>Journal of the American Chemical Society<\/em>, 125, 8108-8109 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1021\/jp030193n\"><strong>\u201cTheoretical determination of the singlet -&gt; singlet and singlet -&gt; triplet electronic spectra, lowest ionization potentials, and electron affinity of cyclooctatetraene\u201d<\/strong><\/a><br \/>\nL. M. Frutos, O. Casta\u00f1o, and M. Merch\u00e1n<br \/>\n<em>Journal of Physical Chemistry A<\/em>, 107, 5472-5478 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1021\/jp0225572\"><strong>\u201cTheoretical analysis of the excited states in maleimide\u201d<\/strong><\/a><br \/>\nT. Climent, R. Gonz\u00e1lez-Luque, and M. Merch\u00e1n<br \/>\n<em>Journal of Physical Chemistry A<\/em>, 107, 6995-7003 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1080\/0026897031000109392\"><strong>\u201cA Theoretical Analysis of the Excited States in 2-Benzoylthiophene\u201d<\/strong><\/a><br \/>\nR. Gonz\u00e1lez-Luque, M. Merch\u00e1n, M. Rubio, L. Serrano-Andr\u00e9s, B. O. Roos, and M. A. Miranda<br \/>\n<em>Molecular Physics<\/em>, 101, 1977-1982 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1063\/1.1594175\"><strong>\u201cThe Electronic Spectra of Aryl Olefines: A Theoretical Study of Phenylacetylene\u201d<\/strong><\/a><br \/>\nL. Serrano-Andr\u00e9s, M. Merch\u00e1n, and M. Jablonski<br \/>\n<em>Journal of Chemical Physics<\/em>, 119, 4294-4304 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-003-0470-2\"><strong>\u201cTheoretical Characterization of the Absorption Spectrum of Phenanthrene and its Cation\u201d<\/strong><\/a><br \/>\nR. Gonz\u00e1lez-Luque, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, and M. P. F\u00fclsher<br \/>\n<em>Theoretical Chemistry Accounts<\/em>, 110, 224-232 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1039\/b310702g\"><strong>\u201cTheoretical Absorption and Emission Spectra of 1H- and 2H- Benzotriazole\u201d<\/strong><\/a><br \/>\nA. C. Borin, L. Serrano-Andr\u00e9s, V. Ludwig, and S. Canuto<br \/>\n<em>Physical Chemistry Chemical Physics<\/em>, 5, 5001-5009 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200390063\"><strong>\u201cAn ab initio study on the mechanism of the atmospheric reaction NH2+O-3 -&gt; H2NO+O-2\u201d<\/strong><\/a><br \/>\nJ. Peir\u00f3-Garc\u00eda, I. Nebot-Gil, and M. Merch\u00e1n<br \/>\n<em>ChemPhysChem<\/em>, 4, 366-372 (2003)<\/li>\n<li><a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.200300790\"><strong>\u201cThe low-lying excited states of 2,2 \u2018-bithiophene: A theoretical analysis\u201d<\/strong><\/a><br \/>\nM. Rubio, M. Merch\u00e1n, R. Pou-Am\u00e9rigo, and E. Ort\u00ed<br \/>\n<em>ChemPhysChem<\/em>, 4, 1308-1315 (2003)<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>QCEXVAL publications in 2012: \u201cCalculation of Excited States: Molecular Photophysics and Photochemistry on Display\u201d L. Serrano-Andr\u00e9s and J. J. Serrano-P\u00e9rez In: \u201cHandbook of Computational Chemistry\u201d Springer-Verlag, Berlin, Heidelberg, pp. 483-560 (2012) \u201cOn the Photophysics and Photochemistry of the Water Dimer\u201d J. Segarra-Mart\u00ed, D. Roca-Sanju\u00e1n, M. Merch\u00e1n, and R. Lindh The Journal of Chemical Physics, 137, 244309 (2012) \u201cOn the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF\/CASPT2 Study\u201d I. Gonz\u00e1lez-Ram\u00edrez, J. Segarra-Mart\u00ed, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, M. Rubio, and D. Roca-Sanju\u00e1n The Journal of Chemical Theory and Computation, 8, 2769-2776 (2012) \u201cAb initio determination of the ionization potentials of water clusters (H2O)(n) (n=2-6)\u201d J. Segarra-Mart\u00ed,<\/p>\n<div class=\"wst-more-wrap\"><a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=635\"><span>Read More<\/span><\/a><\/div>\n<p> <a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=635\">Read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v21.8 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Previous Articles - QCEXVAL<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"http:\/\/qcexval.uv.es\/?page_id=635\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Previous Articles - QCEXVAL\" \/>\n<meta property=\"og:description\" content=\"QCEXVAL publications in 2012: \u201cCalculation of Excited States: Molecular Photophysics and Photochemistry on Display\u201d L. Serrano-Andr\u00e9s and J. J. Serrano-P\u00e9rez In: \u201cHandbook of Computational Chemistry\u201d Springer-Verlag, Berlin, Heidelberg, pp. 483-560 (2012) \u201cOn the Photophysics and Photochemistry of the Water Dimer\u201d J. Segarra-Mart\u00ed, D. Roca-Sanju\u00e1n, M. Merch\u00e1n, and R. Lindh The Journal of Chemical Physics, 137, 244309 (2012) \u201cOn the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF\/CASPT2 Study\u201d I. Gonz\u00e1lez-Ram\u00edrez, J. Segarra-Mart\u00ed, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, M. Rubio, and D. Roca-Sanju\u00e1n The Journal of Chemical Theory and Computation, 8, 2769-2776 (2012) \u201cAb initio determination of the ionization potentials of water clusters (H2O)(n) (n=2-6)\u201d J. Segarra-Mart\u00ed,Read More\" \/>\n<meta property=\"og:url\" content=\"http:\/\/qcexval.uv.es\/?page_id=635\" \/>\n<meta property=\"og:site_name\" content=\"QCEXVAL\" \/>\n<meta property=\"article:modified_time\" content=\"2021-04-19T10:56:40+00:00\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:site\" content=\"@qcexval\" \/>\n<meta name=\"twitter:label1\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data1\" content=\"17 minutes\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"http:\/\/qcexval.uv.es\/?page_id=635\",\"url\":\"http:\/\/qcexval.uv.es\/?page_id=635\",\"name\":\"Previous Articles - QCEXVAL\",\"isPartOf\":{\"@id\":\"http:\/\/qcexval.uv.es\/#website\"},\"datePublished\":\"2020-02-19T17:04:51+00:00\",\"dateModified\":\"2021-04-19T10:56:40+00:00\",\"breadcrumb\":{\"@id\":\"http:\/\/qcexval.uv.es\/?page_id=635#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"http:\/\/qcexval.uv.es\/?page_id=635\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"http:\/\/qcexval.uv.es\/?page_id=635#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Home\",\"item\":\"http:\/\/qcexval.uv.es\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Publications\",\"item\":\"http:\/\/qcexval.uv.es\/?page_id=31\"},{\"@type\":\"ListItem\",\"position\":3,\"name\":\"Previous Articles\"}]},{\"@type\":\"WebSite\",\"@id\":\"http:\/\/qcexval.uv.es\/#website\",\"url\":\"http:\/\/qcexval.uv.es\/\",\"name\":\"QCEXVAL\",\"description\":\"The Excited State Quantum Chemistry Group\",\"publisher\":{\"@id\":\"http:\/\/qcexval.uv.es\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"http:\/\/qcexval.uv.es\/?s={search_term_string}\"},\"query-input\":\"required name=search_term_string\"}],\"inLanguage\":\"en-US\"},{\"@type\":\"Organization\",\"@id\":\"http:\/\/qcexval.uv.es\/#organization\",\"name\":\"QCEXVAL\",\"url\":\"http:\/\/qcexval.uv.es\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/\",\"url\":\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg\",\"contentUrl\":\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg\",\"width\":512,\"height\":512,\"caption\":\"QCEXVAL\"},\"image\":{\"@id\":\"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/\"},\"sameAs\":[\"https:\/\/twitter.com\/qcexval\"]}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Previous Articles - QCEXVAL","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"http:\/\/qcexval.uv.es\/?page_id=635","og_locale":"en_US","og_type":"article","og_title":"Previous Articles - QCEXVAL","og_description":"QCEXVAL publications in 2012: \u201cCalculation of Excited States: Molecular Photophysics and Photochemistry on Display\u201d L. Serrano-Andr\u00e9s and J. J. Serrano-P\u00e9rez In: \u201cHandbook of Computational Chemistry\u201d Springer-Verlag, Berlin, Heidelberg, pp. 483-560 (2012) \u201cOn the Photophysics and Photochemistry of the Water Dimer\u201d J. Segarra-Mart\u00ed, D. Roca-Sanju\u00e1n, M. Merch\u00e1n, and R. Lindh The Journal of Chemical Physics, 137, 244309 (2012) \u201cOn the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF\/CASPT2 Study\u201d I. Gonz\u00e1lez-Ram\u00edrez, J. Segarra-Mart\u00ed, L. Serrano-Andr\u00e9s, M. Merch\u00e1n, M. Rubio, and D. Roca-Sanju\u00e1n The Journal of Chemical Theory and Computation, 8, 2769-2776 (2012) \u201cAb initio determination of the ionization potentials of water clusters (H2O)(n) (n=2-6)\u201d J. Segarra-Mart\u00ed,Read More","og_url":"http:\/\/qcexval.uv.es\/?page_id=635","og_site_name":"QCEXVAL","article_modified_time":"2021-04-19T10:56:40+00:00","twitter_card":"summary_large_image","twitter_site":"@qcexval","twitter_misc":{"Est. reading time":"17 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"http:\/\/qcexval.uv.es\/?page_id=635","url":"http:\/\/qcexval.uv.es\/?page_id=635","name":"Previous Articles - QCEXVAL","isPartOf":{"@id":"http:\/\/qcexval.uv.es\/#website"},"datePublished":"2020-02-19T17:04:51+00:00","dateModified":"2021-04-19T10:56:40+00:00","breadcrumb":{"@id":"http:\/\/qcexval.uv.es\/?page_id=635#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["http:\/\/qcexval.uv.es\/?page_id=635"]}]},{"@type":"BreadcrumbList","@id":"http:\/\/qcexval.uv.es\/?page_id=635#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"http:\/\/qcexval.uv.es\/"},{"@type":"ListItem","position":2,"name":"Publications","item":"http:\/\/qcexval.uv.es\/?page_id=31"},{"@type":"ListItem","position":3,"name":"Previous Articles"}]},{"@type":"WebSite","@id":"http:\/\/qcexval.uv.es\/#website","url":"http:\/\/qcexval.uv.es\/","name":"QCEXVAL","description":"The Excited State Quantum Chemistry Group","publisher":{"@id":"http:\/\/qcexval.uv.es\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"http:\/\/qcexval.uv.es\/?s={search_term_string}"},"query-input":"required name=search_term_string"}],"inLanguage":"en-US"},{"@type":"Organization","@id":"http:\/\/qcexval.uv.es\/#organization","name":"QCEXVAL","url":"http:\/\/qcexval.uv.es\/","logo":{"@type":"ImageObject","inLanguage":"en-US","@id":"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/","url":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg","contentUrl":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg","width":512,"height":512,"caption":"QCEXVAL"},"image":{"@id":"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/twitter.com\/qcexval"]}]}},"_links":{"self":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/635"}],"collection":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=635"}],"version-history":[{"count":3,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/635\/revisions"}],"predecessor-version":[{"id":1247,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/635\/revisions\/1247"}],"up":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/31"}],"wp:attachment":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=635"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}