Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table: Molcas 8
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| Veröffentlicht in: | Journal of computational chemistry 2015-11, Vol.37 (5) |
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| container_title | Journal of computational chemistry |
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| creator | Aquilante, Francesco Autschbach, Jochen Carlson, Rebecca K. Chibotaru, Liviu F. Delcey, Mickaël G. De Vico, Luca Fdez. Galván, Ignacio Ferré, Nicolas Frutos, Luis Manuel Gagliardi, Laura Garavelli, Marco Giussani, Angelo Hoyer, Chad E. Li Manni, Giovanni Lischka, Hans Ma, Dongxia Malmqvist, Per Åke Müller, Thomas Nenov, Artur Olivucci, Massimo Pedersen, Thomas Bondo Peng, Daoling Plasser, Felix Pritchard, Ben Reiher, Markus Rivalta, Ivan Schapiro, Igor Segarra-Martí, Javier Stenrup, Michael Truhlar, Donald G. Ungur, Liviu Valentini, Alessio Vancoillie, Steven Veryazov, Valera Vysotskiy, Victor P. Weingart, Oliver Zapata, Felipe Lindh, Roland |
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| doi_str_mv | 10.1002/jcc.24221 |
| format | Article |
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| language | eng |
| recordid | cdi_osti_scitechconnect_1388273 |
| source | Access via Wiley Online Library |
| subjects | catalysis (heterogeneous), materials and chemistry by design, synthesis (novel materials) |
| title | Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table: Molcas 8 |
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