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    • Michael S Chen

    11 results in Authors: Michael S Chen

    Category: Theoretical and Computational Chemistry
    ,
    , Title:

    The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    , Authors: Giovanni Li Manni, Ignacio Fernández Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicolas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, Roland Lindh
    Version 2 posted 12 April 2023
    1,129
    Downloads
    Category: Materials Science
    ,
    , Title:

    How Reproducible Are Surface Areas Calculated from the BET Equation?

    , Authors: Johannes Osterrieth, James Rampersad, David G. Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark Allendorf, Vitalie Stavila, JONATHAN SNIDER, Rob Ameloot, Joao Marreiros, Conchi O. Ania, Diana C. S. Azevedo, Enrique Vilarrasa-García, Bianca F Santos, Xian-He Bu, Xe Zang, Hana Bunzen, Neil Champness, Sarah L. Griffin, Banglin Chen, Rui-Biao Lin, Benoit Coasne, Seth M. Cohen, Jessica C. Moreton, Yamil J. Colon, Linjiang Chen, Rob Clowes, François-Xavier Coudert, Yong Cui, Bang Hou, Deanna D’Alessandro, Patrick W. Doheny, Mircea Dinca, Chenyue Sun, Christian Doonan, Michael Huxley, Jack D. Evans, paolo falcaro, Raffaele Riccò, Omar K. Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross Forgan, Dominic Bara, Shuhei Furukawa, Elisabeth Sanchez, Jorge Gascon, Selvedin Telalovic, Sujit K. Ghosha, SOUMYA MUKHERJEE, Matthew R. Hill, Muhammad Munir Sadiq, Patricia Horcajada, Pablo Salcedo-Abraira, Katsumi Kaneko, Radovan Kukobat, Jeffrey Kenvin, Seda Keskin, Susumu Kitagawa, Kenichi Otake, Ryan P. Lively, Stephen J. A. DeWitt, Philip L. Llewellyn, Bettina Lotsch, Sebastian T. Emmerling, Alexander Pütz, Carlos Martí-Gastaldo, Natalia Muñoz, Javier Garcia-Martinez, Noemi Linares, Daniel Maspoch, Jose Antonio Suarez, Peyman Moghadam, Rama Oktavian, Russell Morris, Paul Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew Rosseinsky, Alexandros Katsoulidis, Martin Schroder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David Sholl, Raghuram Thyagarajan, Daniel Siderius, Randall Q. Snurr, Rebecca B. Goncalves, Shane G. Telfer, Seok J. Lee, Valeska Ting, Jemma Rowlandson, Takeshi Uemura, Tomoya Iiyuka, Monique van der Veen, Davide Rega, Veronique Vanspeybroeck, Aran Lamaire, Sven Rogge, Krista Walton, Lukas W. Bingel, Stefan Wuttke, Jacopo Andreo, Omar Yaghi, Bing Zhang, Cafer Yavuz, Thien Nguyen, Felix Zamora, Carmen Montoro, Hong-Cai Zhou, Kirchon Angelo, David Fairen-Jimenez
    Version 3 posted 11 February 2022
    4,009
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    Category: Biological and Medicinal Chemistry
    ,
    , Title:

    A community effort to discover small molecule SARS-CoV-2 inhibitors

    , Authors: Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Frank Noé, Simon Olsson, Lluís Raich, Robin Winter, Hatice Gokcan, Filipp Gusev, Evgeny M. Gutkin, Olexandr Isayev, Maria G. Kurnikova, Chamali H. Narangoda, Roman Zubatyuk, Ivan P. Bosko, Konstantin V. Furs, Anna D. Karpenko, Yury V. Kornoushenko, Mikita Shuldau, Artsemi Yushkevich, Mohammed B. Benabderrahmane, Patrick Bousquet-Melou, Ronan Bureau, Beatrice Charton, Bertrand C. Cirou, Gérard Gil, William J. Allen, Suman Sirimulla, Stanley Watowich, Nick A. Antonopoulos, Nikolaos E. Epitropakis, Agamemnon K. Krasoulis, Vassilis P. Pitsikalis, Stavros T. Theodorakis, Igor Kozlovskii, Anton Maliutin, Alexander Medvedev, Petr Popov, Mark Zaretckii, Hamid Eghbal-zadeh, Christina Halmich, Sepp Hochreiter, Andreas Mayr, Peter Ruch, Michael Widrich, Francois Berenger, Ashutosh Kumar, Yoshihiro Yamanishi, Kam Y.J. Zhang, Emmanuel Bengio, Yoshua Bengio, Moksh J. Jain, Maksym Korablyov, Cheng-Hao Liu, Gilles Marcou, Enrico Glaab, Kelly Barnsley, Suhasini M. Iyengar, Mary Jo Ondrechen, V. Joachim Haupt, Florian Kaiser, Michael Schroeder, Luisa Pugliese, Simone Albani, Christina Athanasiou, Andrea Beccari, Paolo Carloni, Giulia D'Arrigo, Eleonora Gianquinto, Jonas Goßen, Anton Hanke, Benjamin P. Joseph, Daria B. Kokh, Sandra Kovachka, Candida Manelfi, Goutam Mukherjee, Abraham Muñiz-Chicharro, Francesco Musiani, Ariane Nunes-Alves, Giulia Paiardi, Giulia Rossetti, S. Kashif Sadiq, Francesca Spyrakis, Carmine Talarico, Alexandros Tsengenes, Rebecca C. Wade, Conner Copeland, Jeremiah Gaiser, Daniel R. Olson, Amitava Roy, Vishwesh Venkatraman, Travis J. Wheeler, Haribabu Arthanari, Klara Blaschitz, Marco Cespugli, Vedat Durmaz, Konstantin Fackeldey, Patrick D. Fischer, Christoph Gorgulla, Christian Gruber, Karl Gruber, Michael Hetmann, Jamie E. Kinney, Krishna M. Padmanabha Das, Shreya Pandita, Amit Singh, Georg Steinkellner, Guilhem Tesseyre, Gerhard Wagner, Zi-Fu Wang, Ryan J. Yust, Dmitry S. Druzhilovskiy, Dmitry A. Filimonov, Pavel V. Pogodin, Vladimir Poroikov, Anastassia V. Rudik, Leonid A. Stolbov, Alexander V. Veselovsky, Maria De Rosa, Giada De Simone, Maria R. Gulotta, Jessica Lombino, Nedra Mekni, Ugo Perricone, Arturo Casini, Amanda Embree, D. Benjamin Gordon, David Lei, Katelin Pratt, Christopher A. Voigt, Kuang-Yu Chen, Yves Jacob, Tim Krischuns, Pierre Lafaye, Agnès Zettor, M. Luis Rodríguez, Kris M. White, Daren Fearon, Frank Von Delft, Martin A. Walsh, Dragos Horvath, Charles L. Brooks III, Babak Falsafi, Bryan Ford, Adolfo García-Sastre, Sang Yup Lee, Nadia Naffakh, Alexandre Varnek, Günter Klambauer, Thomas M. Hermans
    Version 1 posted 07 April 2023
    1,724
    Downloads