Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MM

por Huix-Rotllant, Miquel
Publicado 2021

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

por Falahati, Konstantin, Tamura, Hiroyuki, Burghardt, Irene, Huix-Rotllant, Miquel
Publicado 2018

On the fluorescence enhancement of arch neuronal optogenetic reporters

por Barneschi, Leonardo, Marsili, Emanuele, Pedraza-González, Laura, Padula, Daniele, De Vico, Luca, Kaliakin, Danil, Blanco-González, Alejandro, Ferré, Nicolas, Huix-Rotllant, Miquel, Filatov, Michael, Olivucci, Massimo
Publicado 2022

Towards the engineering of a photon-only two-stroke rotary molecular motor

por Filatov(Gulak), Michael, Paolino, Marco, Pierron, Robin, Cappelli, Andrea, Giorgi, Gianluca, Léonard, Jérémie, Huix-Rotllant, Miquel, Ferré, Nicolas, Yang, Xuchun, Kaliakin, Danil, Blanco-González, Alejandro, Olivucci, Massimo
Publicado 2022

Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor

por Filatov(Gulak), Michael, Paolino, Marco, Pierron, Robin, Cappelli, Andrea, Giorgi, Gianluca, Léonard, Jérémie, Huix-Rotllant, Miquel, Ferré, Nicolas, Yang, Xuchun, Kaliakin, Danil, Blanco-González, Alejandro, Olivucci, Massimo
Publicado 2022

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

por Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland
Publicado 2023