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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry OpenMolcas Web: 一种社区驱动的推进计算化学的方法 Manni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, 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; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, 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 分享 收藏
Modern quantum chemistry with [Open]Molcas 现代量子化学与 [开] 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 分享 收藏
Quantum coherence in complex environments: general discussion Alvertis, Antonios M.; Barford, William; Worster, Susannah Bourne; Burghardt, Irene; Datta, Animesh; Dijkstra, Arend; Fay, Thomas; Ghosh, Soumya; Gruenbaum, Tobias; Habershon, Scott; Hore, P. J.; Hutchinson, David; Iyengar, Srinivasan; Jones, Alex R.; Jones, Garth; Komarova, Ksenia; Lawrence, Joseph; Leonard, Jeremie; Litman, Yair; Mannouch, Jonathan; Manolopoulos, David; Martens, Craig; Mondelo-Martell, Manel; Picconi, David; Plant, Dave; Sakaushi, Ken; Saller, Maximilian A. C.; Schile, Addison; Scholes, Gregory D.; Segarra-Marti, Javier; Segatta, Francesco; Troisi, Alessandro; Worth, Graham 分享 收藏
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Spectroscopic signatures of quantum effects: general discussion Alvertis, Antonios M.; Barford, William; Bourne Worster, Susannah; Burghardt, Irene; Chin, Alex; Datta, Animesh; Dijkstra, Arend; Fay, Thomas; Fielding, Helen; Gruenbaum, Tobias; Habershon, Scott; Hammes-Schiffer, Sharon; Iyengar, Srinivasan; Jones, Alex R.; Komarova, Ksenia; Leonard, Jeremie; Litman, Yair; Picconi, David; Plant, Dave; Schile, Addison; Scholes, Gregory D.; Segarra-Marti, Javier; Segatta, Francesco; Troisi, Alessandro; Worth, Graham 分享 收藏
Excited-State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine (vol 25, pg 7375, 2019) Martinez-Fernandez, Lara; Gavvala, Krishna; Sharma, Rajans; Didier, Pascal; Richert, Ludovic; Marti, Javier Segarra; Mori, Mattia; Mely, Yves; Improta, Roberto 分享 收藏
Excited-State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine Martinez-Fernandez, Lara; Gavvala, Krishna; Sharma, Rajans; Didier, Pascal; Richert, Ludovic; Marti, Javier Segarra; Mori, Mattia; Mely, Yves; Improta, Roberto 分享 收藏
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Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy Segarra-Marti, Javier; Zvereva, Elena; Marazzi, Marco; Brazard, Johanna; Dumont, Elise; Assfeld, Xavier; Haacke, Stefan; Garavelli, Marco; Monari, Antonio; Leonard, Jeremie; Rivalta, Ivan 分享 收藏
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Light induced damage and repair in nucleic acids and proteins: general discussion Chandra, Amitava; Cogdell, Richard; Crespo-Hernandez, Carlos E.; Datta, Ankona; Giussani, Angelo; Haacke, Stefan; Helliwell, John; Improta, Roberto; Jayasree, Ramapurath S.; Jones, Mike; Karsili, Tolga; Kohler, Bern; Mahil, L.; Mandal, Imon; Markovitsi, Dimitra; Medhi, Himani; Mishra, Padmaja P.; Pradeepkumar, P. I.; Chowdhury, Priyadarshi Roy; Sarangi, Manas; Schapiro, Igor; Schlichting, Ilme; Segarra-Marti, Javier; Sharma, Amit; Vishnu, V.; van Grondelle, Rienk; Watts, Anthony 分享 收藏
Light induced charge and energy transport in nucleic acids and proteins: general discussion Chattopadhyay, Amitabha; Cogdell, Richard; Crespo-Hernandez, Carlos E.; Datta, Ankona; De, Arijit; Haacke, Stefan; Hariharan, Mahesh; Helliwell, John; Hughes, Ashley; Improta, Roberto; Jones, Mike; Joseph, Joshy; Karsili, Tolga; Kohler, Bern; Krishnan, Retheesh; Kuriakose, Anvy; Mahil, L.; Markovitsi, Dimitra; Medhi, Himani; Periyasamy, Ganga; Pradeepkumar, P. I.; Chowdhury, Priyadarshi Roy; Sarangi, Manas; Schapiro, Igor; Schertler, Gebhard F. X.; Schlichting, Ilme; Segarra-Marti, Javier; Swaminathan, Rajaram; Vishnu, V.; Van Grondelle, Rienk; Venkatraman, Ravi Kumar; Venkatramani, Ravindra; Watts, Anthony 分享 收藏
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Photocrosslinking between nucleic acids and proteins: general discussion Bhat, Vinayak; Cogdell, Richard; Crespo-Hernandez, Carlos E.; Datta, Ankona; De, Arijit; Haacke, Stefan; Helliwell, John; Improta, Roberto; Joseph, Joshy; Karsili, Tolga; Kohler, Bern; Krishnan, Retheesh; Mahil, L.; Lewis, Frederick; Mandal, Imon; Markovitsi, Dimitra; Mishra, Padmaja P.; Paul, Sneha; Periyasamy, Ganga; Pradeepkumar, P. I.; Chowdhury, Priyadarshi Roy; Sarangi, Manas; Sasikumar, Devika; Schapiro, Igor; Schertler, Gebhard F. X.; Schlichting, Ilme; Segarra-Marti, Javier; Swaminathan, Rajaram; Vishnu, V.; Van Grondelle, Rienk; Varghese, Reji; Venkatramani, Ravindra 分享 收藏
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Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy Martinez-Fernandez, L.; Pepino, A. J.; Segarra-Marti, J.; Jovaisaite, J.; Vaya, I.; Nenov, A.; Markovitsi, D.; Gustavsson, T.; Banyasz, A.; Garavelli, M.; Improta, R. 分享 收藏
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