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OpenMolcas: From Source Code to Insight.
Fdez Galván, Ignacio; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J; Bokarev, Sergey I; Bogdanov, Nikolay A; Carlson, Rebecca K; Chibotaru, Liviu F; Creutzberg, Joel; Dattani, Nike; Delcey, Mickaël G; Dong, Sijia S; Dreuw, Andreas; Freitag, Leon; Frutos, Luis Manuel; Gagliardi, Laura; Gendron, Frédéric; Giussani, Angelo; González, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Källman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, João Pedro; Malmqvist, Per Åke; Marquetand, Philipp; Mewes, Stefanie A; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Phung, Quan Manh; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J; Sørensen, Lasse Kragh.
Afiliação
  • Fdez Galván I; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Vacher M; Department of Chemistry - BMC , Uppsala University , P.O. Box 576, SE-751 23 Uppsala , Sweden.
  • Alavi A; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Angeli C; Max Planck Institut für Festkörperforschung , Heisenbergstraße 1 , 70569 Stuttgart , Germany.
  • Aquilante F; Dipartimento di Scienze Chimiche e Farmaceutiche , Università di Ferrara , Via Luigi Borsari 46 , 44121 Ferrara , Italy.
  • Autschbach J; Département de Chimie Physique , Université de Genève , 30 quai Ernest-Ansermet , CH-1211 Genève 4 , Switzerland.
  • Bao JJ; Department of Chemistry , University at Buffalo, State University of New York , Buffalo , New York 14260-3000 , United States.
  • Bokarev SI; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute , University of Minnesota , Minneapolis , Minnesota 55455-0431 , United States.
  • Bogdanov NA; Institut für Physik , Universität Rostock , Albert-Einstein-Straße 23-24 , 18059 Rostock , Germany.
  • Carlson RK; Max Planck Institut für Festkörperforschung , Heisenbergstraße 1 , 70569 Stuttgart , Germany.
  • Chibotaru LF; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute , University of Minnesota , Minneapolis , Minnesota 55455-0431 , United States.
  • Creutzberg J; Theory of Nanomaterials Group , University of Leuven , Celestijnenlaan 200F , Leuven 3001 , Belgium.
  • Dattani N; Department of Physics, AlbaNova University Center , Stockholm University , SE-106 91 Stockholm , Sweden.
  • Delcey MG; Division of Theoretical Chemistry, Kemicentrum , Lund University , P.O. Box 124, SE-221 00 Lund , Sweden.
  • Dong SS; Harvard Smithsonian Center for Astrophysics , Cambridge , Massachusetts 02138 , United States.
  • Dreuw A; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Freitag L; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute , University of Minnesota , Minneapolis , Minnesota 55455-0431 , United States.
  • Frutos LM; Interdisciplinary Center for Scientific Computing , Heidelberg University , Im Neuenheimer Feld 205 A , 69120 Heidelberg , Germany.
  • Gagliardi L; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Gendron F; Departamento de Química Analítica, Química Física e Ingeniería Química, and Instituto de Investigación Química "Andrés M. del Río" , Universidad de Alcalá , E-28871 Alcalá de Henares, Madrid , Spain.
  • Giussani A; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute , University of Minnesota , Minneapolis , Minnesota 55455-0431 , United States.
  • González L; Department of Chemistry , University at Buffalo, State University of New York , Buffalo , New York 14260-3000 , United States.
  • Grell G; Department of Chemistry , University College London , 20 Gordon Street , London WC1H 0AJ , United Kingdom.
  • Guo M; Instituto de Ciencia Molecular , Universitat de València , Apartado 22085, ES-46071 Valencia , Spain.
  • Hoyer CE; Institute of Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währinger Straße 17 , 1090 Vienna , Austria.
  • Johansson M; Institut für Physik , Universität Rostock , Albert-Einstein-Straße 23-24 , 18059 Rostock , Germany.
  • Keller S; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Knecht S; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute , University of Minnesota , Minneapolis , Minnesota 55455-0431 , United States.
  • Kovacevic G; Division of Theoretical Chemistry, Kemicentrum , Lund University , P.O. Box 124, SE-221 00 Lund , Sweden.
  • Källman E; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Li Manni G; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Lundberg M; Division of Materials Physics , Ruder Boskovic Institute , P.O.B. 180, Bijenicka 54 , HR-10002 Zagreb , Croatia.
  • Ma Y; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Mai S; Max Planck Institut für Festkörperforschung , Heisenbergstraße 1 , 70569 Stuttgart , Germany.
  • Malhado JP; Department of Chemistry - Ångström Laboratory , Uppsala University , P.O. Box 538, SE-751 21 Uppsala , Sweden.
  • Malmqvist PÅ; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , 8093 Zürich , Switzerland.
  • Marquetand P; Institute of Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währinger Straße 17 , 1090 Vienna , Austria.
  • Mewes SA; Department of Chemistry , Imperial College London , London SW7 2AZ , United Kingdom.
  • Norell J; Division of Theoretical Chemistry, Kemicentrum , Lund University , P.O. Box 124, SE-221 00 Lund , Sweden.
  • Olivucci M; Institute of Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währinger Straße 17 , 1090 Vienna , Austria.
  • Oppel M; Interdisciplinary Center for Scientific Computing , Heidelberg University , Im Neuenheimer Feld 205 A , 69120 Heidelberg , Germany.
  • Phung QM; Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study (NZIAS) , Massey University Albany , Private Bag 102904, Auckland 0632 , New Zealand.
  • Pierloot K; Department of Physics, AlbaNova University Center , Stockholm University , SE-106 91 Stockholm , Sweden.
  • Plasser F; Department of Biotechnology, Chemistry and Pharmacy , University of Siena , via A. Moro 2 , 53100 Siena , Italy.
  • Reiher M; Department of Chemistry , Bowling Green State University , Bowling Green , Ohio 43403 , United States.
  • Sand AM; USIAS and Institut de Physique et Chimie des Matériaux de Strasbourg , Université de Strasbourg-CNRS , 67034 Strasbourg , France.
  • Schapiro I; Institute of Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währinger Straße 17 , 1090 Vienna , Austria.
  • Sharma P; Department of Chemistry , KU Leuven , Celestijnenlaan 200F , Leuven 3001 , Belgium.
  • Stein CJ; Department of Chemistry , KU Leuven , Celestijnenlaan 200F , Leuven 3001 , Belgium.
  • Sørensen LK; Department of Chemistry , Loughborough University , Loughborough LE11 3TU , United Kingdom.
J Chem Theory Comput ; 15(11): 5925-5964, 2019 Nov 12.
Article em En | MEDLINE | ID: mdl-31509407
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Suécia
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Suécia