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DOE OSTI · 1974657

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

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
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYHamiltonianschemical calculationsinterfacesquantum mechanicswave function

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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. 2023-05-22. The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. https://doi.org/10.1021/acs.jctc.3c00182

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