{"id":1544,"date":"2022-04-05T09:53:58","date_gmt":"2022-04-05T09:53:58","guid":{"rendered":"http:\/\/qcexval.uv.es\/?page_id=1544"},"modified":"2024-01-15T16:44:28","modified_gmt":"2024-01-15T16:44:28","slug":"2022-2","status":"publish","type":"page","link":"http:\/\/qcexval.uv.es\/?page_id=1544","title":{"rendered":"2022"},"content":{"rendered":"[vc_row][vc_column][vc_column_text]\r\n<h2><strong>List of QCEXVAL publications in 2022:<\/strong><\/h2>\r\n\r\n<figure class=\"wp-block-table\">\r\n<table style=\"width: 100%; height: 263px;\">\r\n<tbody>\r\n<tr style=\"height: 154px;\">\r\n<td class=\"has-text-align-center\" style=\"width: 14.7468%; height: 82px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1756 size-medium\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Quantum-Chemistry-300x154.jpeg\" alt=\"\" width=\"300\" height=\"154\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Quantum-Chemistry-300x154.jpeg 300w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Quantum-Chemistry.jpeg 648w\" sizes=\"(max-width: 300px) 100vw, 300px\" \/><\/td>\r\n<td style=\"width: 71.2998%; height: 82px;\"><strong><a href=\"https:\/\/doi.org\/10.1039\/9781839167676-00028\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Quantum chemistry of the excited state: advances in 2020\u20132021&#8221;<\/a><\/strong><br \/>Juliana Cu\u00e9llar-Zuquin; Javier Carmona-Garc\u00eda; Miriam Navarrete-Miguel; Luis Cerd\u00e1n; Antonio Franc\u00e9s-Monerris; Angelo Giussani; Javier Segarra-Mart\u00ed; Daniel Roca-Sanju\u00e1n <br \/>\r\n<p><i>Photochemistry <\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022), <\/span><strong style=\"font-family: inherit; font-size: inherit;\">Vol. 50<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 28-66<\/span><\/p>\r\n<\/td>\r\n<td class=\"has-text-align-center\" style=\"width: 12.5855%; height: 82px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1754 size-medium\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Photochemisty-203x300.jpeg\" alt=\"\" width=\"203\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Photochemisty-203x300.jpeg 203w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Photochemisty.jpeg 440w\" sizes=\"(max-width: 203px) 100vw, 203px\" \/><\/td>\r\n<\/tr>\r\n<tr style=\"height: 154px;\">\r\n<td class=\"has-text-align-center\" style=\"width: 14.7468%; height: 82px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1545 size-medium\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/Get-300x146.gif\" alt=\"\" width=\"300\" height=\"146\" \/><\/td>\r\n<td style=\"width: 71.2998%; height: 82px;\"><strong><a href=\"https:\/\/doi.org\/10.1039\/D1CP05012E\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Photoswitching activation of a ferrocenyl-stilbene analogue by its covalent grafting to gold&#8221;<\/a><\/strong><br \/>Francesc Bejarano, Diego Guti\u00e9rrez, Jos\u00e9 Catal\u00e1n-Toledo, Daniel Roca-Sanju\u00e1n, Johannes Gierschner, Jaume Veciana, Marta Mas-Torrent, Concepci\u00f3 Rovira and N\u00faria Crivillers<br \/>\r\n<p><i>Physical Chemistry Chemical Physics\u00a0<\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022), <\/span><strong style=\"font-family: inherit; font-size: inherit;\">Vol. 24<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 6185-6192<\/span><\/p>\r\n<\/td>\r\n<td class=\"has-text-align-center\" style=\"width: 12.5855%; height: 82px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1546 size-full\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/Get-2.gif\" alt=\"\" width=\"148\" height=\"195\" \/><\/td>\r\n<\/tr>\r\n<tr style=\"height: 154px;\">\r\n<td class=\"has-text-align-center\" style=\"width: 14.7468%; height: 181px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1547 size-medium\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/5.0073189.figures.online.f3-247x300.jpeg\" alt=\"\" width=\"247\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/5.0073189.figures.online.f3-247x300.jpeg 247w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/5.0073189.figures.online.f3.jpeg 700w\" sizes=\"(max-width: 247px) 100vw, 247px\" \/><\/td>\r\n<td style=\"width: 71.2998%; height: 181px;\"><strong><a href=\"https:\/\/doi.org\/10.1063\/5.0073189\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Quantum-Chemistry Study of the Ground and Excited State Absorption of Distyrylbenzene: Multi vs. Single Reference Methods&#8221;<\/a><\/strong><br \/>Juan Carlos Roldao, Eliezer Fernando Oliveira, Bego\u00f1a Mili\u00e1n-Medina, Johannes Gierschner and Daniel Roca-Sanju\u00e1n<br \/>\r\n<p><i>The Journal of Chemical Physics\u00a0<\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022),\u00a0<\/span><strong style=\"font-family: inherit; font-size: inherit;\">Vol. 156<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 044102<\/span><\/p>\r\n<\/td>\r\n<td class=\"has-text-align-center\" style=\"width: 12.5855%; height: 181px;\" data-align=\"center\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-1548 size-medium\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-227x300.jpg\" alt=\"\" width=\"227\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-227x300.jpg 227w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-774x1024.jpg 774w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-768x1016.jpg 768w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-1161x1536.jpg 1161w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-1547x2048.jpg 1547w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/04\/jcp.2022.156.issue-4.largecover-scaled.jpg 1934w\" sizes=\"(max-width: 227px) 100vw, 227px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1591\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/images_medium_ct2c00004_0009-300x196.gif\" alt=\"\" width=\"300\" height=\"196\" \/><\/td>\r\n<td style=\"width: 71.2998%;\"><strong><a href=\"https:\/\/doi.org\/10.1021\/acs.jctc.2c00004\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning&#8221;<\/a><br \/><\/strong>Luis Cerd\u00e1n and Daniel Roca-Sanju\u00e1n<strong><br \/><\/strong>\r\n<p><i>Journal of Chemical Theory and Computation\u00a0<\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022),<\/span><strong style=\"font-family: inherit; font-size: inherit;\">\u00a0Vol. 18<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 3052-3064<\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1590\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-5.largecover-225x300.jpeg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-5.largecover-225x300.jpeg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-5.largecover.jpeg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1592\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/images_medium_ja2c03499_0005-300x160.gif\" alt=\"\" width=\"300\" height=\"160\" \/><\/td>\r\n<td style=\"width: 71.2998%;\"><strong><a href=\"https:\/\/doi.org\/10.1021\/jacs.2c03499\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Reaction of SO<sub>3<\/sub> with HONO<sub>2<\/sub> and Implications for Sulfur Partitioning in the Atmosphere&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\">Bo Long<\/span><span class=\"comma-separator\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Yu Xia<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Junwei Lucas Bao<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Javier Carmona-Garc\u00eda<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Juan Carlos G\u00f3mez Mart\u00edn<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">John M. C. Plane<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Alfonso Saiz-Lopez<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Daniel Roca-Sanju\u00e1n<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0and\u00a0<span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Joseph S. Francisco<\/span><br \/><\/span>\r\n<p><i>Journal of American Chemical Society\u00a0<\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022),<\/span><strong style=\"font-family: inherit; font-size: inherit;\">\u00a0Vol. 144<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 9172-9177<\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1593\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jacsat.2022.144.issue-20.largecover-225x300.jpeg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jacsat.2022.144.issue-20.largecover-225x300.jpeg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jacsat.2022.144.issue-20.largecover.jpeg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1596\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-300x184.jpeg\" alt=\"\" width=\"300\" height=\"184\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-300x184.jpeg 300w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-1024x629.jpeg 1024w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-768x472.jpeg 768w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-1536x944.jpeg 1536w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl64333-fig-0001-m-2048x1259.jpeg 2048w\" sizes=\"(max-width: 300px) 100vw, 300px\" \/><\/td>\r\n<td style=\"width: 71.2998%;\"><strong><a href=\"https:\/\/doi.org\/10.1029\/2022GL097953\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;The Chemistry of Mercury in the Stratosphere&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\">Alfonso Saiz-Lopez<i class=\"icon-mail_outline\" aria-hidden=\"true\"><\/i><span class=\"comma-separator\">, <\/span><span class=\"accordion-tabbed__tab-mobile accordion__closed\">A. Ulises Acu\u00f1a<span class=\"comma-separator\">, <\/span>Anoop S. Mahajan<span class=\"comma-separator\">, <\/span>Juan Z. D\u00e1valos<span class=\"comma-separator\">, <\/span>Wuhu Feng<span class=\"comma-separator\">, <\/span>Daniel Roca-Sanju\u00e1n<span class=\"comma-separator\">, <\/span>Javier Carmona-Garc\u00eda<span class=\"comma-separator\">, <\/span>Carlos A. Cuevas<span class=\"comma-separator\">, <\/span>Douglas E. Kinnison<span class=\"comma-separator\">, <\/span>Juan Carlos G\u00f3mez Mart\u00edn<span class=\"comma-separator\">, <\/span>Joseph S. Francisco<span class=\"comma-separator\">, <\/span>John M. C. Plane<\/span><\/span><strong><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\"><br \/><\/span><\/strong><i>Geophysical Research Letters<\/i>\u00a0(2022),\u00a0<strong>Vol. 49<\/strong>,\u00a0<span style=\"font-family: inherit; font-size: inherit;\">e2022GL097953<\/span><\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1595\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl.v49.12.cover_-232x300.jpeg\" alt=\"\" width=\"232\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl.v49.12.cover_-232x300.jpeg 232w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/grl.v49.12.cover_.jpeg 485w\" sizes=\"(max-width: 232px) 100vw, 232px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1597\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27-201x300.png\" alt=\"\" width=\"201\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27-201x300.png 201w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27-688x1024.png 688w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27-768x1144.png 768w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27-1031x1536.png 1031w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Captura-de-Pantalla-2022-09-16-a-las-12.36.27.png 1230w\" sizes=\"(max-width: 201px) 100vw, 201px\" \/><\/td>\r\n<td style=\"width: 71.2998%;\"><strong><a href=\"https:\/\/doi.org\/10.1038\/s41467-022-32170-x\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Photochemical and Thermochemical Pathways to S<sub>2<\/sub> and Polysulfure Formation in the Atmosphere of Venus&#8221;<\/a><br \/><\/strong>Antonio Franc\u00e9s-Monerris<span style=\"font-family: inherit; font-size: inherit;\">, <\/span>Javier Carmona-Garc\u00eda<span style=\"font-family: inherit; font-size: inherit;\">, <\/span>Tarek Trabelsi<span style=\"font-family: inherit; font-size: inherit;\">, <\/span>Alfonso Saiz-Lopez<span style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span>James R. Lyons<span style=\"font-family: inherit; font-size: inherit;\">, <\/span>Joseph S. Francisco<span style=\"font-family: inherit; font-size: inherit;\">\u00a0and <\/span>Daniel Roca-Sanju\u00e1n<span style=\"font-family: inherit; font-size: inherit;\"><br \/><\/span>\r\n<p><i>Nature Communications\u00a0<\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022),\u00a0<\/span><strong style=\"font-family: inherit; font-size: inherit;\">Vol. 13<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 4425<\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-1598\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/Nature_Communications_-_Journal_Cover.jpg\" alt=\"\" width=\"153\" height=\"201\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1600\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/images_medium_ct2c00302_0006-300x163.gif\" alt=\"\" width=\"300\" height=\"163\" \/><\/td>\r\n<td style=\"width: 71.2998%;\"><strong><a href=\"https:\/\/doi.org\/10.1021\/acs.jctc.2c00302\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Juan Carlos Roldao<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Eliezer Fernando Oliveira<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Bego\u00f1a Mili\u00e1n-Medina<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Johannes Gierschner<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0and\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Daniel Roca-Sanju\u00e1n<\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><br \/><\/span><\/strong>\r\n<p><i>Journal of Chemical Theory and Computation <\/i><span style=\"font-family: inherit; font-size: inherit;\">(2022),<\/span><strong style=\"font-family: inherit; font-size: inherit;\"> Vol. 18<\/strong><span style=\"font-family: inherit; font-size: inherit;\">, 5449-5458<\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1599\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-9.largecover-225x300.jpeg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-9.largecover-225x300.jpeg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2022\/09\/jctcce.2022.18.issue-9.largecover.jpeg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1696\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/images_medium_gg2c00038_0017-300x172.gif\" alt=\"\" width=\"300\" height=\"172\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1021\/acsorginorgau.2c00038\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Substituent-Induced Control of <em>fac\/mer<\/em> Isomerism in Azine-NHC Fe(II) Complexes&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span style=\"font-family: inherit; font-size: inherit;\">Ulises Carrillo, Antonio Franc\u00e9s-Monerris, Anil Reddy Marri, Cristina Cebri\u00e1n*, and Philippe C. Gros<\/span><\/span><\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>ACS Organic &amp; Inorganic Au<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 2<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, 525\u2013536<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1695\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/aoiab5.2022.2.issue-6.largecover-225x300.jpg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/aoiab5.2022.2.issue-6.largecover-225x300.jpg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/aoiab5.2022.2.issue-6.largecover.jpg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-1698\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/Get-2.gif\" alt=\"\" width=\"189\" height=\"189\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1039\/D2CP02128E\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;A multiscale free energy method reveals an unprecedented photoactivation of a bimetallic Os(II)-Pt(II) dual anticancer agent&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span style=\"font-family: inherit; font-size: inherit;\">Marta E. Alberto and Antonio Franc\u00e9s-Monerris<\/span><\/span><\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>Physical Chemistry Chemical Physics<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 24<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, 19584\u201319594<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-1699\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/Get.jpeg\" alt=\"\" width=\"148\" height=\"195\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1702\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/images_medium_ci2c00460_0014-1-300x119.gif\" alt=\"\" width=\"300\" height=\"119\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1021\/acs.jcim.2c00460\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Spatial and Temporal Resolution of the Oxygen-Independent Photoinduced DNA Interstrand Cross-Linking by a Nitroimidazole Derivative&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Abdelazim M. A. Abdelgawwad<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Antonio Monari<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">I\u00f1aki Tu\u00f1\u00f3n<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">\u00a0and\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Antonio Franc\u00e9s-Monerris<\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>Journal of Chemical Information and Modelling<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 62<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, 3239\u20133252<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1701\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jcisd8.2022.62.issue-13.largecover-225x300.jpg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jcisd8.2022.62.issue-13.largecover-225x300.jpg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jcisd8.2022.62.issue-13.largecover.jpg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1703\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/images_medium_ja2c02475_0015-300x161.gif\" alt=\"\" width=\"300\" height=\"161\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1021\/jacs.2c02475\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Intraligand Excited States Turn a Ruthenium Oligothiophene Complex into a Light-Triggered Ubertoxin with Anticancer Effects in Extreme Hypoxia&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span class=\"hlFld-ContribAuthor\">John A. Roque III<\/span><span class=\"comma-separator\">,\u00a0<\/span><\/span><span class=\"hlFld-ContribAuthor\">Houston D. Cole<\/span><span class=\"comma-separator\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Patrick C. Barrett<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Liubov M. Lifshits<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Rachel O. Hodges<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Susy Kim<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Gagan Deep<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Antonio Franc\u00e9s-Monerris<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Marta E. Alberto,\u00a0<\/span><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\">Colin G. Cameron\u00a0<\/span><span class=\"comma-separator\" style=\"font-family: inherit; font-size: inherit;\">and\u00a0<\/span><span style=\"font-family: inherit; font-size: inherit;\">Sherri A. McFarland<\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>Journal of the American Chemical Society<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 144<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, 8317\u20138336<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1704\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jacsat.2022.144.issue-18.largecover-225x300.jpg\" alt=\"\" width=\"225\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jacsat.2022.144.issue-18.largecover-225x300.jpg 225w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/jacsat.2022.144.issue-18.largecover.jpg 298w\" sizes=\"(max-width: 225px) 100vw, 225px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1705\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202100818-toc-0001-m-300x64.jpg\" alt=\"\" width=\"300\" height=\"64\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202100818-toc-0001-m-300x64.jpg 300w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202100818-toc-0001-m-1024x219.jpg 1024w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202100818-toc-0001-m-768x164.jpg 768w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202100818-toc-0001-m.jpg 1359w\" sizes=\"(max-width: 300px) 100vw, 300px\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1002\/ejic.202100818\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;Bidentate Pyridyl-NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the <em>fac\/mer<\/em> Isomerism&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span class=\"hlFld-ContribAuthor\">K\u00e9vin Magra<span class=\"comma-separator\">,\u00a0<\/span><span class=\"accordion-tabbed__tab-mobile  accordion__closed\">Antonio Franc\u00e9s-Monerris<span class=\"comma-separator\">,\u00a0<\/span>Cristina Cebri\u00e1n<i class=\"icon-mail_outline\" aria-hidden=\"true\"><\/i><span class=\"comma-separator\">,<\/span>\u00a0Antonio Monari<span class=\"comma-separator\">,\u00a0<\/span>Stefan Haacke and Philippe C. Gros<\/span><\/span><\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>European Journal of Inorganic Chemistry<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 2022<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, e202100818<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1707\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1-226x300.jpg\" alt=\"\" width=\"226\" height=\"300\" srcset=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1-226x300.jpg 226w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1-772x1024.jpg 772w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1-768x1018.jpg 768w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1-1158x1536.jpg 1158w, http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/ejic202200056-toc-0001-m-1.jpg 1251w\" sizes=\"(max-width: 226px) 100vw, 226px\" \/><\/td>\r\n<\/tr>\r\n<tr>\r\n<td style=\"width: 14.7468%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-1712\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/Get-4-2-300x178.gif\" alt=\"\" width=\"300\" height=\"178\" \/><\/td>\r\n<td style=\"width: 71.2998%;\">\r\n<p><strong><a href=\"https:\/\/doi.org\/10.1039\/D2CP03460C\" target=\"_blank\" rel=\"nofollow noopener\">&#8220;3-Methylation alters excited state decay in photoionised uracil&#8221;<\/a><br \/><\/strong><span class=\"hlFld-ContribAuthor\" style=\"font-family: inherit; font-size: inherit;\"><span class=\"hlFld-ContribAuthor\"><span class=\"comma-separator\">Javier Segarra-Mart\u00ed, Thierry Tran<\/span><span class=\"accordion-tabbed__tab-mobile  accordion__closed\"><span class=\"comma-separator\">, Michael J. Bearpark\u00a0<\/span>Cris<\/span><\/span><\/span><\/p>\r\n<p><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-title\"><i>Physical Chemistry Chemical Physics<\/i><\/span>\u00a0(<span class=\"cit-year-info\">2022)<\/span><\/span><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">,<\/span><\/span><strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-volume\">\u00a0Vol. 24<\/span><\/span><\/strong><span style=\"font-family: inherit; font-size: inherit;\"><span class=\"cit-pageRange\">, 27038\u201327046<\/span><\/span><\/p>\r\n<\/td>\r\n<td style=\"width: 12.5855%;\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-1711\" src=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2023\/04\/Get-5-1.jpeg\" alt=\"\" width=\"148\" height=\"195\" \/><\/td>\r\n<\/tr>\r\n<\/tbody>\r\n<\/table>\r\n<\/figure>\r\n\r\n<p>&nbsp;<\/p>\r\n\r\n[\/vc_column_text][\/vc_column][\/vc_row]","protected":false},"excerpt":{"rendered":"<p>[vc_row][vc_column][vc_column_text] List of QCEXVAL publications in 2022: &#8220;Quantum chemistry of the excited state: advances in 2020\u20132021&#8221;Juliana Cu\u00e9llar-Zuquin; Javier Carmona-Garc\u00eda; Miriam Navarrete-Miguel; Luis Cerd\u00e1n; Antonio Franc\u00e9s-Monerris; Angelo Giussani; Javier Segarra-Mart\u00ed; Daniel Roca-Sanju\u00e1n Photochemistry (2022), Vol. 50, 28-66 &#8220;Photoswitching activation of a ferrocenyl-stilbene analogue by its covalent grafting to gold&#8221;Francesc Bejarano, Diego Guti\u00e9rrez, Jos\u00e9 Catal\u00e1n-Toledo, Daniel Roca-Sanju\u00e1n, Johannes Gierschner, Jaume Veciana, Marta Mas-Torrent, Concepci\u00f3 Rovira and N\u00faria Crivillers Physical Chemistry Chemical Physics\u00a0(2022), Vol. 24, 6185-6192 &#8220;Quantum-Chemistry Study of the Ground and Excited State Absorption of Distyrylbenzene: Multi vs. Single Reference Methods&#8221;Juan Carlos Roldao, Eliezer Fernando Oliveira, Bego\u00f1a Mili\u00e1n-Medina, Johannes Gierschner and Daniel Roca-Sanju\u00e1n The Journal of Chemical Physics\u00a0(2022),\u00a0Vol. 156, 044102 &#8220;Reconstruction of<\/p>\n<div class=\"wst-more-wrap\"><a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=1544\"><span>Read More<\/span><\/a><\/div>\n<p> <a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=1544\">Read more<\/a><\/p>\n","protected":false},"author":4,"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>2022 - 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=1544\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"2022 - QCEXVAL\" \/>\n<meta property=\"og:description\" content=\"[vc_row][vc_column][vc_column_text] List of QCEXVAL publications in 2022: &#8220;Quantum chemistry of the excited state: advances in 2020\u20132021&#8221;Juliana Cu\u00e9llar-Zuquin; Javier Carmona-Garc\u00eda; Miriam Navarrete-Miguel; Luis Cerd\u00e1n; Antonio Franc\u00e9s-Monerris; Angelo Giussani; Javier Segarra-Mart\u00ed; Daniel Roca-Sanju\u00e1n Photochemistry (2022), Vol. 50, 28-66 &#8220;Photoswitching activation of a ferrocenyl-stilbene analogue by its covalent grafting to gold&#8221;Francesc Bejarano, Diego Guti\u00e9rrez, Jos\u00e9 Catal\u00e1n-Toledo, Daniel Roca-Sanju\u00e1n, Johannes Gierschner, Jaume Veciana, Marta Mas-Torrent, Concepci\u00f3 Rovira and N\u00faria Crivillers Physical Chemistry Chemical Physics\u00a0(2022), Vol. 24, 6185-6192 &#8220;Quantum-Chemistry Study of the Ground and Excited State Absorption of Distyrylbenzene: Multi vs. Single Reference Methods&#8221;Juan Carlos Roldao, Eliezer Fernando Oliveira, Bego\u00f1a Mili\u00e1n-Medina, Johannes Gierschner and Daniel Roca-Sanju\u00e1n The Journal of Chemical Physics\u00a0(2022),\u00a0Vol. 156, 044102 &#8220;Reconstruction ofRead More\" \/>\n<meta property=\"og:url\" content=\"http:\/\/qcexval.uv.es\/?page_id=1544\" \/>\n<meta property=\"og:site_name\" content=\"QCEXVAL\" \/>\n<meta property=\"article:modified_time\" content=\"2024-01-15T16:44:28+00:00\" \/>\n<meta property=\"og:image\" content=\"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Quantum-Chemistry-300x154.jpeg\" \/>\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=\"5 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=1544\",\"url\":\"http:\/\/qcexval.uv.es\/?page_id=1544\",\"name\":\"2022 - QCEXVAL\",\"isPartOf\":{\"@id\":\"http:\/\/qcexval.uv.es\/#website\"},\"datePublished\":\"2022-04-05T09:53:58+00:00\",\"dateModified\":\"2024-01-15T16:44:28+00:00\",\"breadcrumb\":{\"@id\":\"http:\/\/qcexval.uv.es\/?page_id=1544#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"http:\/\/qcexval.uv.es\/?page_id=1544\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"http:\/\/qcexval.uv.es\/?page_id=1544#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\":\"2022\"}]},{\"@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":"2022 - 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=1544","og_locale":"en_US","og_type":"article","og_title":"2022 - QCEXVAL","og_description":"[vc_row][vc_column][vc_column_text] List of QCEXVAL publications in 2022: &#8220;Quantum chemistry of the excited state: advances in 2020\u20132021&#8221;Juliana Cu\u00e9llar-Zuquin; Javier Carmona-Garc\u00eda; Miriam Navarrete-Miguel; Luis Cerd\u00e1n; Antonio Franc\u00e9s-Monerris; Angelo Giussani; Javier Segarra-Mart\u00ed; Daniel Roca-Sanju\u00e1n Photochemistry (2022), Vol. 50, 28-66 &#8220;Photoswitching activation of a ferrocenyl-stilbene analogue by its covalent grafting to gold&#8221;Francesc Bejarano, Diego Guti\u00e9rrez, Jos\u00e9 Catal\u00e1n-Toledo, Daniel Roca-Sanju\u00e1n, Johannes Gierschner, Jaume Veciana, Marta Mas-Torrent, Concepci\u00f3 Rovira and N\u00faria Crivillers Physical Chemistry Chemical Physics\u00a0(2022), Vol. 24, 6185-6192 &#8220;Quantum-Chemistry Study of the Ground and Excited State Absorption of Distyrylbenzene: Multi vs. Single Reference Methods&#8221;Juan Carlos Roldao, Eliezer Fernando Oliveira, Bego\u00f1a Mili\u00e1n-Medina, Johannes Gierschner and Daniel Roca-Sanju\u00e1n The Journal of Chemical Physics\u00a0(2022),\u00a0Vol. 156, 044102 &#8220;Reconstruction ofRead More","og_url":"http:\/\/qcexval.uv.es\/?page_id=1544","og_site_name":"QCEXVAL","article_modified_time":"2024-01-15T16:44:28+00:00","og_image":[{"url":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2024\/01\/Quantum-Chemistry-300x154.jpeg"}],"twitter_card":"summary_large_image","twitter_site":"@qcexval","twitter_misc":{"Est. reading time":"5 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"http:\/\/qcexval.uv.es\/?page_id=1544","url":"http:\/\/qcexval.uv.es\/?page_id=1544","name":"2022 - QCEXVAL","isPartOf":{"@id":"http:\/\/qcexval.uv.es\/#website"},"datePublished":"2022-04-05T09:53:58+00:00","dateModified":"2024-01-15T16:44:28+00:00","breadcrumb":{"@id":"http:\/\/qcexval.uv.es\/?page_id=1544#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["http:\/\/qcexval.uv.es\/?page_id=1544"]}]},{"@type":"BreadcrumbList","@id":"http:\/\/qcexval.uv.es\/?page_id=1544#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":"2022"}]},{"@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\/1544"}],"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\/4"}],"replies":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1544"}],"version-history":[{"count":14,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/1544\/revisions"}],"predecessor-version":[{"id":1757,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/1544\/revisions\/1757"}],"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=1544"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}