{"id":48,"date":"2016-09-22T16:46:57","date_gmt":"2016-09-22T16:46:57","guid":{"rendered":"http:\/\/qcexval.uv.es\/?page_id=48"},"modified":"2021-05-07T09:32:13","modified_gmt":"2021-05-07T09:32:13","slug":"2013-2","status":"publish","type":"page","link":"http:\/\/qcexval.uv.es\/?page_id=48","title":{"rendered":"2013"},"content":{"rendered":"

List of QCEXVAL publications in 2013:<\/strong><\/h2>\r\n\r\n
\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n\r\n
\"\"<\/td>\r\n“Computational photochemistry and chemiluminescence of biomolecules”<\/a><\/strong>
Antonio Franc\u00e9s-Monerris, Manuela Merch\u00e1n and Daniel Roca-Sanju\u00e1n
In: European Photochemistry Association Newsletters<\/em>, Vol. 85<\/strong>, 25-30 (2013)<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Revisiting the Non-Adiabatic Process in 1,2-Dioxetane”<\/a><\/strong>
Pooria Farahani, Daniel Roca-Sanju\u00e1n, Felipe Zapata and Roland Lindh
The Journal of Chemical Theory and Computation <\/em>(2013), Vol. 9<\/strong>, 5404-5411<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Ketorolac beats Ketoprofen: lower photodecarboxylation, photohemolysis and phototoxicity”<\/a><\/strong>
Christopher D. McTiernan, Chiara Fasciani, Mar\u00eda Gonz\u00e1lez-B\u00e9jar, Daniel Roca-Sanju\u00e1n, Emilio I. Alarc\u00f3n and Jose C. Netto-Ferreira
Medical Chemistry Communications <\/em>(2013), Vol. 4<\/strong>, 1619-1622<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Tuning the Photophysical Properties of anti<\/em>-B18<\/sub>H22<\/sub>: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4\u2032-(HS)2<\/sub>–anti<\/em>-B18<\/sub>H20<\/sub>“<\/a><\/strong>
Vicenta Sauri, Josep M. Oliva, Drahom\u00edr Hnyk, Jonathan Bould, Jakub Braborec, Manuela Merch\u00e1n, Pavel Kub\u00e1t, I. C\u00edsarov\u00e1, Kamil Lang and Michael G. S. Londesborough
Inorganic Chemistry <\/em>(2013), Vol. 52<\/strong>, 9266-9274<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Electronic UV-Vis Transient Spectra of the .OH Reaction Products of Uracil, Thymine, Cytosine, and 5,6-Dihydrouracil by Using the complete active space self-consistent field second-order perturbation (CASPT2\/\/CASSCF) theory”<\/a><\/strong>
Antonio Franc\u00e9s-Monerris, Manuela Merch\u00e1n and Daniel Roca-Sanju\u00e1n
The Journal of Chemical Physics <\/em>(2013), Vol. 139<\/strong>, 071101<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Toward an Understanding of the Hydrogenation Reaction of MO2<\/sub> gas phase clusters (M = Ti, Zr, and Hf)”<\/a><\/strong>
Patricio Gonz\u00e1lez-Navarrete, M\u00f3nica Calatayud, Juan Andr\u00e9s, Fernando Ruip\u00e9rez and Daniel Roca-Sanju\u00e1n
The Journal of Physical Chemistry A <\/em>(2013), Vol. 117<\/strong>, 5354-5364<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Investigations on the synthesis and chemiluminescence of novel 2-coumaranones”<\/a><\/strong>
Stefan Schramm, Dieter Wei\u03b2, Isabelle Navizet, Daniel Roca-Sanju\u00e1n, Herbert Brandl, Rrainer Beckert and Helmar G\u00f6rls
ARKIVOC <\/em>(2013), Issue 3, 174-188<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Are the Bio- and Chemiluminescence States of the Firefly Oxyluciferin the Same as the Fluorescence State?”<\/a><\/strong>
Isabelle Navizet, Daniel Roca-Sanju\u00e1n, Ling Yue, Ya-J. Liu, Nicol\u00e1s Ferr\u00e9 and Roland Lindh
Photochemistry and Photobiology <\/em>(2013), Vol. 89<\/strong>, 319-325<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Towards the Understanding at the Molecular Level of the Structured-Water Absorption and Fluorescence Spectra: A Fingerprint of \u03c0-Stacked Water”<\/a><\/strong>
Javier Segarra-Mart\u00ed, Pedro B. Coto, Mercedes Rubio, Daniel Roca-Sanju\u00e1n and Manuela Merch\u00e1n
Molecular Physics <\/em>(2013), Vol. 111<\/strong>, 1308-1315<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Combined Theoretical and Experimental Study of the Photophysics of Asulam”<\/a><\/strong>
Angelo Giussani, Rosendo Pou-Am\u00e9rigo, Luis Serrano-Andr\u00e9s, Antonio Freire-Corbacho, Cristina Mart\u00ednez-Garc\u00eda, Ma<\/sup> Isabel Fern\u00e1ndez P., Mohamed Sarakha, Mois\u00e9s Canle L. and J. Arturo Santaballa
The Journal of Physical Chemistry A <\/em>(2013), Vol. 117<\/strong>, 2125-2137<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Photoinduced Formation Mechanism of the Thymine-Thymine (6-4) Adduct”<\/a><\/strong>
Angelo Giussani, Luis Serrano-Andr\u00e9s, Manuela Merch\u00e1n, Daniel Roca-Sanju\u00e1n and Marco Garavelli
The Journal of Physical Chemistry B <\/em>(2013), Vol. 117<\/strong>, 1999-2004<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n
\"\"<\/td>\r\n“Proton\/Hydrogen Transfer Mechanisms in the Guanine-Cytosine Base Pair: Photostability and Tautomerism”<\/a><\/strong>
Vicenta Sauri, Jo\u00e3o P. Gobbo, Juan J. Serrano-P\u00e9rez, Marcus Lundberg, Pedro B. Coto, Luis Serrano-Andr\u00e9s, Antonio C. Borin, Roland Lindh, Manuela Merch\u00e1n and Daniel Roca-Sanju\u00e1n
The Journal of Chemical Theory and Computation<\/em> (2013),\u00a0Vol. 9,<\/strong> 481-496<\/td>\r\n		\"\"<\/td>\r\n<\/tr>\r\n<\/tbody>\r\n<\/table>\r\n<\/figure>\r\n","protected":false},"excerpt":{"rendered":"

List of QCEXVAL publications in 2013: “Computational photochemistry and chemiluminescence of biomolecules”Antonio Franc\u00e9s-Monerris, Manuela Merch\u00e1n and Daniel Roca-Sanju\u00e1nIn: European Photochemistry Association Newsletters, Vol. 85, 25-30 (2013) “Revisiting the Non-Adiabatic Process in 1,2-Dioxetane”Pooria Farahani, Daniel Roca-Sanju\u00e1n, Felipe Zapata and Roland LindhThe Journal of Chemical Theory and Computation (2013), Vol. 9, 5404-5411 “Ketorolac beats Ketoprofen: lower photodecarboxylation, photohemolysis and phototoxicity”Christopher D. McTiernan, Chiara Fasciani, Mar\u00eda Gonz\u00e1lez-B\u00e9jar, Daniel Roca-Sanju\u00e1n, Emilio I. Alarc\u00f3n and Jose C. Netto-FerreiraMedical Chemistry Communications (2013), Vol. 4, 1619-1622 “Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4\u2032-(HS)2–anti-B18H20“Vicenta Sauri, Josep M. Oliva, Drahom\u00edr Hnyk, Jonathan Bould, Jakub Braborec, Manuela Merch\u00e1n, Pavel<\/p>\n

Read More<\/span><\/a><\/div>\n

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":"\n2013 - 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=48\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"2013 - QCEXVAL\" \/>\n<meta property=\"og:description\" content=\"List of QCEXVAL publications in 2013: “Computational photochemistry and chemiluminescence of biomolecules”Antonio Franc\u00e9s-Monerris, Manuela Merch\u00e1n and Daniel Roca-Sanju\u00e1nIn: European Photochemistry Association Newsletters, Vol. 85, 25-30 (2013) “Revisiting the Non-Adiabatic Process in 1,2-Dioxetane”Pooria Farahani, Daniel Roca-Sanju\u00e1n, Felipe Zapata and Roland LindhThe Journal of Chemical Theory and Computation (2013), Vol. 9, 5404-5411 “Ketorolac beats Ketoprofen: lower photodecarboxylation, photohemolysis and phototoxicity”Christopher D. McTiernan, Chiara Fasciani, Mar\u00eda Gonz\u00e1lez-B\u00e9jar, Daniel Roca-Sanju\u00e1n, Emilio I. Alarc\u00f3n and Jose C. Netto-FerreiraMedical Chemistry Communications (2013), Vol. 4, 1619-1622 “Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4\u2032-(HS)2–anti-B18H20“Vicenta Sauri, Josep M. 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McTiernan, Chiara Fasciani, Mar\u00eda Gonz\u00e1lez-B\u00e9jar, Daniel Roca-Sanju\u00e1n, Emilio I. Alarc\u00f3n and Jose C. Netto-FerreiraMedical Chemistry Communications (2013), Vol. 4, 1619-1622 “Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4\u2032-(HS)2–anti-B18H20“Vicenta Sauri, Josep M. Oliva, Drahom\u00edr Hnyk, Jonathan Bould, Jakub Braborec, Manuela Merch\u00e1n, PavelRead More","og_url":"http:\/\/qcexval.uv.es\/?page_id=48","og_site_name":"QCEXVAL","article_modified_time":"2021-05-07T09:32:13+00:00","og_image":[{"url":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/04\/toc1-1.jpg"}],"twitter_card":"summary_large_image","twitter_site":"@qcexval","twitter_misc":{"Est. reading time":"7 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"http:\/\/qcexval.uv.es\/?page_id=48","url":"http:\/\/qcexval.uv.es\/?page_id=48","name":"2013 - QCEXVAL","isPartOf":{"@id":"http:\/\/qcexval.uv.es\/#website"},"datePublished":"2016-09-22T16:46:57+00:00","dateModified":"2021-05-07T09:32:13+00:00","breadcrumb":{"@id":"http:\/\/qcexval.uv.es\/?page_id=48#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["http:\/\/qcexval.uv.es\/?page_id=48"]}]},{"@type":"BreadcrumbList","@id":"http:\/\/qcexval.uv.es\/?page_id=48#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":"2013"}]},{"@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\/48"}],"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=48"}],"version-history":[{"count":17,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/48\/revisions"}],"predecessor-version":[{"id":1431,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/48\/revisions\/1431"}],"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=48"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}