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SaveShare Save Share Save Share Save The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
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 Share Save Share Save Arene Variation of Highly Cytotoxic Tridentate Naphthoquinone-Based Ruthenium(II) Complexes and In-Depth In Vitro StudiesCseh, Klaudia; Geisler, Heiko; Stanojkovska, Kristina; Westermayr, Julia; Brunmayr, Philipp; Wenisch, Dominik; Gajic, Natalie; Hejl, Michaela; Schaier, Martin; Koellensperger, Gunda; Jakupec, Michael A. A.; Marquetand, Philipp; Kandioller, Wolfgang Share Save Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical PropertiesOelschlegel, Manuel; Hua, Shoo-An; Schmid, Lucius; Marquetand, Philipp; Baeck, Anna; Borter, Jan-Hendrik; Luecken, Jana; Dechert, Sebastian; Wenger, Oliver S.; Siewert, Inke; Schwarzer, Dirk; Gonzalez, Leticia; Meyer, Franc Share Save Share Save Share Save Photo-Initiated Cobalt-Catalyzed Radical Olefin HydrogenationSang, Sier; Unruh, Tobias; Demeshko, Serhiy; Domenianni, Luis I.; van Leest, Nicolaas P.; Marquetand, Philipp; Schneck, Felix; Wurtele, Christian; de Zwart, Felix J.; de Bruin, Bas; Gonzalez, Leticia; Voehringer, Peter; Schneider, Sven Share Save Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological StudiesGeisler, Heiko; Westermayr, Julia; Cseh, Klaudia; Wenisch, Dominik; Fuchs, Valentin; Harringer, Sophia; Plutzar, Sarah; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Marquetand, Philipp; Kandioller, Wolfgang Share Save Share Save Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalystCardenas, Gustavo; Trentin, Ivan; Schwiedrzik, Ludwig; Hernandez-Castillo, David; Lowe, Grace A.; Kund, Julian; Kranz, Christine; Klingler, Sarah; Stach, Robert; Mizaikoff, Boris; Marquetand, Philipp; Nogueira, Juan J.; Streb, Carsten; Gonzalez, Leticia Share Save Share Save Share Save Share Save Share Save Spectroscopic and Structural Probing of Excited-State Molecular Dynamics with Time-Resolved Photoelectron Spectroscopy and Ultrafast Electron DiffractionLiu, Yusong; Horton, Spencer L.; Yang, Jie; Nunes, J. Pedro F.; Shen, Xiaozhe; Wolfe, Thomas J. A.; Forbes, Ruaridh; Cheng, Chuan; Moore, Bryan; Centurion, Martin; Hegazy, Kareem; Li, Renkai; Lin, Ming-Fu; Stolow, Albert; Hockett, Paul; Rozgonyi, Tamas; Marquetand, Philipp; Wang, Xijie; Weinacht, Thomas Share Save OpenMolcas: From Source Code to InsightGalvan, 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 Share Save 
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