9
List of QCEXVAL publications in 2023:
 |
“Electronic spectroscopy of gemcitabine and derivatives for possible dual-action photodynamic therapy applications” Abdelazim M. A. Abdelgawwad; Daniel Roca-Sanjuán; Antonio Francés-Monerris J. Chem. Phys (2023), Vol. 159, 224106 |
 |
 |
“Reductive Photocycloreversion of Cyclobutane Dimers Triggered by Guanines” Gemma M. Rodríguez-Muñiz, Ana B. Fraga-Timiraos, Miriam Navarrete-Miguel, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Miguel A. Miranda, and Virginie Lhiaubet-Vallet* J. Org. Chem. (2023), Vol. 14, 10111-10121 |
 |
 |
“The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry” Giovanni Li Manni*, Ignacio Fdez. Galván*, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicholas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar Arpit Arun Kumaar HPQC Labs, Waterloo, N2T 2K9 Ontario Canada More by Arpit Arun Kumaar , Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, and Roland Lindh* J. Chem. Theory Comput. (2023), Vol. 19 (20), 6933-6991 |
 |
 |
“Widespread detection of chlorine oxyacids in the Arctic atmosphere” Yee Jun Tham, Nina Sarnela, Siddharth Iyer, Qinyi Li, Hélène Angot, Lauriane L. J. Quéléver, Ivo Beck, Tiia Laurila, Lisa J. Beck, Matthew Boyer, Javier Carmona-García, Ana Borrego-Sánchez, Daniel Roca-Sanjuán, Otso Peräkylä, Roseline C. Thakur, Xu-Cheng He, Qiaozhi Zha, Dean Howard, Byron Blomquist, Stephen D. Archer, Ludovic Bariteau, Kevin Posman, Jacques Hueber, Detlev Helmig, Hans-Werner Jacobi, Heikki Junninen, Markku Kulmala, Anoop S. Mahajan, Andreas Massling, Henrik Skov, Mikko Sipilä, Joseph S. Francisco, Julia Schmale, Tuija Jokinen and Alfonso Saiz-Lopez Nature Communications (2023), Vol. 14, 1769 |
 |