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SaveModern quantum chemistry with [Open]Molcas
Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca; Delcey, Mickael; Galvan, Ignacio Fdez.; Ferre, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Ake; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B.; Pedraza-Gonzalez, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Marti, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera
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SaveOpenMolcas: From Source Code to Insight
Galvan, Ignacio Fdez; 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, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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SaveFluorescence Enhancement of a Microbial Rhodopsin via Electronic Reprogramming
Marin, Maria del Carmen; Agathangelou, Damianos; Orozco-Gonzalez, Yoelvis; Valentini, Alessio; Kato, Yoshitaka; Abe-Yoshizumi, Rei; Kandori, Hideki; Choi, Ahreum; Jung, Kwang-Hwan; Haacke, Stefan; Olivucci, Massimo
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SaveOptomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model
Valentini, Alessio; Rivero, Daniel; Zapata, Felipe; Garcia-Iriepa, Cristina; Marazzi, Marco; Palmeiro, Raul; Galvan, Ignacio Fdez; Sampedro, Diego; Olivucci, Massimo; Manuel Frutos, Luis
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SaveToward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology
Melaccio, Federico; Marin, Maria del Carmen; Valentini, Alessio; Montisci, Fabio; Rinaldi, Silvia; Cherubini, Marco; Yang, Xuchun; Kato, Yoshitaka; Stenrup, Michael; Orozco-Gonzalez, Yoelvis; Ferre, Nicolas; Luk, Hoi Ling; Kandori, Hideki; Olivucci, Massimo
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SaveMolcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickael G.; De Vico, Luca; Galvan, Ignacio Fdez; Ferre, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Ake; Mueller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Marti, 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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SaveShape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection
Gozem, Samer; Melaccio, Federico; Valentini, Alessio; Filatov, Michael; Huix-Rotllant, Miquel; Ferre, Nicolas; Manuel Frutos, Luis; Angeli, Celestino; Krylov, Anna I.; Granovsky, Alexander A.; Lindh, Roland; Olivucci, Massimo
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