QCEXVAL

QCEXVAL Reviews

• “Quantum chemistry of the excited state: advances in 2020-2021”
  Juliana Cuéllar-Zuquin, Javier Carmona-García, Miriam Navarrete-Miguel, Luis Cerdán, Antonio Francés-Monerris, Angelo Giussani, Javier Segarra-Martí, Daniel Roca-Sanjuán

  In: “Photochemistry”. (2022)

• “Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids”
  Johannes Gierschner, Junqing Shi, Begoña Milián‐Medina, Daniel Roca‐Sanjuán, Shinto Varghese and SooYoung Park

  In: “Advanced Optical Material”. (2021), 2002251

• “Photochemistry, Chemiluminescence and Dark Photochemistry: Computational Advances (2018-2019)”
  Daniel Roca-Sanjuán, Javier Carmona-García, Bo-Wen Ding, Miriam Navarrete-Miguel, Antonio Francés-Monerris, Angelo Giussani, Javier Segarra-Martí,  Antonio Monari and Ya-Jun Liu

In: “Photochemistry”. Series: Specialist Periodical Reports, Vol. 48
Eds. S. Protti, C. Raviola, Royal Society of Chemistry, London (2020)

• “Multiconfigurational Quantum Chemiluminescence”
  Daniel Roca-Sanjuán, Javier Carmona-García, Miriam Navarrete-Miguel, Antonio Francés-Monerris and Angelo Giussani

In: A Comprehensive Guide to Chemiluminescense
Eds. Luís Punto da Silva, NOVA Science Publishers, Hauppauge, NY, USA (2019)

• “Quantum chemistry of the excited state: recent trends in methods developments and applications”
  Miriam Navarrete-Miguel, Javier Segarra-Martí, Antonio Francés-Monerris, Angelo Giussani, Pooria Farahani, Bo-Wen Ding. Antonio Monarri, Ya-Jun liu and Daniel Roca-Sanjuán

In: “Photochemistry””. Series: Specialist Periodical Reports, Vol. 46, 28-77
Eds. A. Albani, S. Protti, Royal Society of Chemistry, London (2018)

• “Chemi- and Bioluminescence of Cyclic Peroxides”
  Morgane Vacher, Ignacio Fdez. Galván, Bo-Wen Ding, Stefan Schramm, Romain Berraud-Pache, Pance Naumov, Nicolas Ferré, Ya-Jun Liu, Isabelle Navizet, Daniel Roca-Sanjuán, Wilhelm J. Baader and Roland Lindh

Chemical Reviews, Vol. 118, pp. 6924-6974 (2018)

• “Advances in computational photochemistry and chemiluminiscence of biological and nanotechnological molecules”
  Daniel Roca-Sanjuán, Antonio Francés-Monerris, Ignacio Fdez. Galván, Pooria Farahani, Roland Lindh and Ya-Jun Liu
  In: “Photochemistry”, Vol. 44, pp. 16-60
  Eds. A. Albani, E. Fasani, London (2016)

• “Quantum chemistry of Excited States in Polyhedral Boranes”.
  Josep Marias Oliva, Antonio Francés-Monerris and Daniel Roca-Sanjuán

In: “Boron: The Fifth Element”, submitted
Eds. M. L. McKee and D. Hnyk, Springer, London (2015)

• “Recent method developments and applications in computational photochemistry, chemiluminescene and bioluminescence”.
  Daniel Roca-Sanjuán, Ignacio Fdez. Galván, Roland Lindh and Ya-Jun Liu,
  In: “Photochemistry”. Series: Specialist Periodical Reports, Vol. 42, pp. 11-42
  Ed. A. Albini, Royal Society, London (2015)

• “Computational photochemistry and chemiluminescence of biomolecules”
  A. Francés-Monerris, M. Merchán and D. Roca-Sanjuán

In: European Photochemistry Association Newsletters
Vol. 85, pp. 25-30 (2013)

• “Excitation of Nucleobases from a Computational Perspective I: Reaction Paths”
  A. Giussani, J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
  Topics in Current Chemistry, pp. 57–97 (2013)

• “Calculation of Excited States: Molecular Photophysics and Photochemistry on Display”
  L. Serrano-Andrés and J. J. Serrano-Pérez

In: “Handbook of Computational Chemistry”
Springer-Verlag, Berlin, Heidelberg, pp. 483-560 (2012)

• “Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry”
  Daniel Roca-Sanjuán, Francesco Aquilante and Roland Lindh

In: WIREs Comput Mol Sci, Vol. 2, pp. 585-603 (2012)

• “Progress and Challenges in the Calculation of Electronic Excited States”
  L. González, D. Escudero, and L. Serrano-Andrés
  

ChemPhysChem, Vol. 13, pp. 28-51 (2012)

• “Molecular Basis of the Phototherapy of Furocoumarins: A Theoretical Study”.
  L. Serrano-Andrés and J. J. Serrano-Pérez.

In: “Psoriasis: Causes, Diagnosis and Treatment”, pp. 1-61
Ed. J. A. Carrasco. Nova Science Publishers, (2011)

• “Recent Trends in Computational Photochemistry”.
  L. Serrano-Andrés, D. Roca-Sanjuán, and G. Olaso-González,

In: “Photochemistry”. Series: Specialist Periodical Reports, Vol. 38, pp. 10-36
Ed. A. Albini, Royal Society, London (2011)

• “Are the Five Natural DNA/RNA Base Monomers a Good Choice from Natural Selection? A Photochemical Perspective”.
  L. Serrano-Andrés and M. Merchán
  

Journal of Photochemistry and Photobiology C: Photochemistry Reviews, Vol. 10, pp. 21-32 (2009)

• “Photostability and Photoreactivity in Biomolecules: Quantum Chemistry of Nucleic Acid Base Monomers and Dimers”.
  L. Serrano-Andrés and M. Merchán.

In: “Radiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis”.
Eds. M. K. Shukla and J. Leszczynski, Springer, The Netherlands, Chapter 16, pp. 435-472 (2008)

• “Photosensitization and Phototherapy with Furocoumarins: a Quantum Chemical Study”.
  J. J. Serrano-Pérez, M. Merchán, and L. Serrano-Andrés
  

Chemical Physics. Vol. 347, pp. 422-435 (2008)

• “Bioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology”.
  L. Serrano-Andrés, M. Merchán, D. Roca-Sanjuán, G. Olaso-González, and M. Rubio

In: “Computational Methods in Science and Engineering. Theory and Computation: Old Problems and New Challenges”.
Vol. I. Eds. T. Simos and G. Maroulis, American Institute of Physics, pp. 526-532 (2007)

• “Quantum Chemistry of the Excited State: 2005 Overview”,
  Luis Serrano-Andrés y Manuela Merchán,
  

Journal of Molecular Structure, Theochem, Vol. 729, pp. 109-118 (2005)

• “Ab Initio Methods for Excited States”,
  Manuela Merchán and Luis Serrano-Andrés,
  

Computational Photochemistry, M. Olivucci (Ed)
Elsevier, Amsterdam (2005)

• “Spectroscopy: Applications”,
  Luis Serrano-Andrés and Manuela Merchán,
  

Encyclopedia of Computational Chemistry, P. v. R. Schleyer et al. (Eds)
Wiley, Chichester (2004)

• “Vida y Luz: Una Perspectiva Químico-Cuántica”,
  Luis Serrano-Andrés y Manuela Merchán,
  

Anales de Química, Vol. 100, pp. 16-31 (2004)

• “Multiconfigurational Perturbation Theory Applied to Excited States of Organic Molecules”.
  M. Merchán, and L. Serrano-Andrés, M. P. Fülscher, and B. O. Roos,
  

Recent Advances in Multireference Theory.
Ed. K. Hirao, World Scientific Publishing, Singapore, Vol 4, pp. 161-195 (1999)

• “Multiconfigurational Perturbation Theory – Applications in Electronic Spectroscopy”.
  B. O. Roos, K. Andersson, M. P. Fülscher, P.-A. Malmqvist, L. Serrano-Andrés, K. Pierloot, and M. Merchán,
  

Advances in Chemical Physics: New Methods in Computational Quantum Mechanics.
Ed. I. Prigogine and S. Rice, John Wiley, New York, Vol. 93, pp. 219-331 (1996)

• “Theoretical Study of the Electronic Spectra of Organic Molecules”.
  B. O. Roos, M. P. Fülscher, P.-A. Malmqvist, M. Merchán, and L. Serrano-Andrés,
  

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy.
Ed. S. R. Langhoff, Kluwer, Dordretch, pp. 357-438 (1995)