Zobrazeno 1 - 10
of 11
pro vyhledávání: '"512"'
Autor:
Chakravorty A; Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University , Clemson, South Carolina 29634, United States., Jia Z; Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University , Clemson, South Carolina 29634, United States., Li L; Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University , Clemson, South Carolina 29634, United States., Zhao S; Departement of Mathematics, College of Arts and Sciences, University of Alabama , Tuscaloosa, Alabama 35487, United States., Alexov E; Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University , Clemson, South Carolina 29634, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2018 Feb 13; Vol. 14 (2), pp. 1020-1032. Date of Electronic Publication: 2018 Feb 03.
Autor:
Liu R; HEDPS, CAPT, College of Engineering, Peking University, Beijing 100871, P. R. China.; Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 90871, P. R. China., Chen M; HEDPS, CAPT, College of Engineering, Peking University, Beijing 100871, P. R. China.; Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 90871, P. R. China.; AI for Science Institute, Beijing 100080, P. R. China.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Aug 22; Vol. 19 (16), pp. 5602-5608. Date of Electronic Publication: 2023 Aug 03.
Autor:
Ko HY; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States., Calegari Andrade MF; Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States., Sparrow ZM; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States., Zhang JA; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States., DiStasio RA Jr; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Jul 11; Vol. 19 (13), pp. 4182-4201. Date of Electronic Publication: 2023 Jun 29.
Autor:
Pederson R; Department of Physics and Astronomy, University of California, Irvine, California92617, United States.; X, the Moonshot Factory, Mountain View, California94043, United States.; Sandbox@Alphabet, Mountain View, California94043, United States., Kozlowski J; X, the Moonshot Factory, Mountain View, California94043, United States.; Sandbox@Alphabet, Mountain View, California94043, United States.; Department of Chemistry, University of California, Irvine, California92617, United States., Song R; X, the Moonshot Factory, Mountain View, California94043, United States.; Sandbox@Alphabet, Mountain View, California94043, United States.; Department of Chemistry, Duke University, Durham, North Carolina27708, United States., Beall J; Sandbox@Alphabet, Mountain View, California94043, United States.; SandboxAQ, Palo Alto, California94304, United States., Ganahl M; Sandbox@Alphabet, Mountain View, California94043, United States.; SandboxAQ, Palo Alto, California94304, United States., Hauru M; Sandbox@Alphabet, Mountain View, California94043, United States.; The Alan Turing Institute, 96 Euston Road, LondonNW1 2DB, England, U.K., Lewis AGM; Sandbox@Alphabet, Mountain View, California94043, United States.; SandboxAQ, Palo Alto, California94304, United States., Yao Y; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina27708, United States., Mallick SB; X, the Moonshot Factory, Mountain View, California94043, United States.; Sandbox@Alphabet, Mountain View, California94043, United States., Blum V; Department of Chemistry, Duke University, Durham, North Carolina27708, United States.; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina27708, United States., Vidal G; X, the Moonshot Factory, Mountain View, California94043, United States.; Sandbox@Alphabet, Mountain View, California94043, United States.; Google Quantum AI, Mountain View, California94043, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Jan 10; Vol. 19 (1), pp. 25-32. Date of Electronic Publication: 2022 Dec 12.
Autor:
Lewis AM; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany., Grisafi A; Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland., Ceriotti M; Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland., Rossi M; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2021 Nov 09; Vol. 17 (11), pp. 7203-7214. Date of Electronic Publication: 2021 Oct 20.
Autor:
Fuchigami S; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan., Niina T; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan., Takada S; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Oct 13; Vol. 16 (10), pp. 6609-6619. Date of Electronic Publication: 2020 Sep 03.
Autor:
Chen LY
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2015 Apr 14; Vol. 11 (4), pp. 1928-38.
Autor:
Nebot-Gil I; Institute of Molecular Science, University of Valencia , c/Catedrático José Beltrán 2 E-46980-Paterna (Valencia), Spain.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2015 Feb 10; Vol. 11 (2), pp. 472-83.
Autor:
Gourlaouen C; Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg UMR-7177 CNRS-UdS , 1 Rue Blaise Pascal BP 296/R8, F-67008 Strasbourg Cedex, France., Eng J; Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg UMR-7177 CNRS-UdS , 1 Rue Blaise Pascal BP 296/R8, F-67008 Strasbourg Cedex, France., Otsuka M; Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg UMR-7177 CNRS-UdS , 1 Rue Blaise Pascal BP 296/R8, F-67008 Strasbourg Cedex, France., Gindensperger E; Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg UMR-7177 CNRS-UdS , 1 Rue Blaise Pascal BP 296/R8, F-67008 Strasbourg Cedex, France., Daniel C; Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg UMR-7177 CNRS-UdS , 1 Rue Blaise Pascal BP 296/R8, F-67008 Strasbourg Cedex, France.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2015 Jan 13; Vol. 11 (1), pp. 99-110.
Autor:
Calvo F; Laboratoire de Spectrométrie Ionique et Moléculaire (LASIM), Université Claude Bernard Lyon 1 and Centre National de la Recherche Scientifique (CNRS) UMR 5579, Bát. A. Kastler, 43 Boulevard du 11 Novembre 1918, F69622 Villeurbanne, France., Costa D; Laboratoire de Spectrométrie Ionique et Moléculaire (LASIM), Université Claude Bernard Lyon 1 and Centre National de la Recherche Scientifique (CNRS) UMR 5579, Bát. A. Kastler, 43 Boulevard du 11 Novembre 1918, F69622 Villeurbanne, France.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2010 Feb 09; Vol. 6 (2), pp. 508-16.