المؤلفون: Zeng, Yunlin, Pavlova, Anna, Nelson, Philip M., Glick, Zachary L., Yang, Lan, Pang, Yui Tik, Spivak, Mariano, Licari, Giuseppe, Tajkhorshid, Emad, Sherrill, C. David, Gumbart, James C.

المصدر: Journal of Chemical Physics; 6/28/2024, Vol. 160 Issue 24, p1-12, 12p

مصطلحات موضوعية: MOLECULAR dynamics, SMALL molecules, PARAMETERIZATION, PROTEIN-protein interactions, KILLER whale, PARSING (Computer grammar)

المؤلفون: Licari, Giuseppe, Glick, Zachary, Yang, Lan, Nelson, Philip, Sherrill, C. David, Tajkhorshid, Emad, Spivak, Mariano, Pang, Yui Tik, Zeng, Yunlin, Pavlova, Anna, Gumbart, James

مصطلحات موضوعية: Chemical sciences, FOS Chemical sciences

الإتاحة: https://doi.org/10.60893/figshare.jcpTest.c.7254565
https://aip.figshare.com/collections/Broadening_access_to_small-molecule_parameterization_with_the_Force_Field_Toolkit/7254565Test

المؤلفون: Metcalf, Derek P., Glick, Zachary L., Bortolato, Andrea, Jiang, Andy, Cheney, Daniel L., Sherrill, C. David

المساهمون: Division of Chemistry, National Science Foundation Graduate Research Fellowship Program

المصدر: Journal of Chemical Information and Modeling ; volume 64, issue 6, page 1907-1918 ; ISSN 1549-9596 1549-960X

الإتاحة: https://doi.org/10.1021/acs.jcim.3c02054Test

المؤلفون: Smith, Daniel GA, Lolinco, Annabelle T, Glick, Zachary L, Lee, Jiyoung, Alenaizan, Asem, Barnes, Taylor A, Borca, Carlos H, Di Remigio, Roberto, Dotson, David L, Ehlert, Sebastian, Heide, Alexander G, Herbst, Michael F, Hermann, Jan, Hicks, Colton B, Horton, Joshua T, Hurtado, Adrian G, Kraus, Peter, Kruse, Holger, Lee, Sebastian JR, Misiewicz, Jonathon P, Naden, Levi N, Ramezanghorbani, Farhad, Scheurer, Maximilian, Schriber, Jeffrey B, Simmonett, Andrew C, Steinmetzer, Johannes, Wagner, Jeffrey R, Ward, Logan, Welborn, Matthew, Altarawy, Doaa, Anwar, Jamshed, Chodera, John D, Dreuw, Andreas, Kulik, Heather J, Liu, Fang, Martínez, Todd J, Matthews, Devin A, Schaefer, Henry F, Šponer, Jiří, Turney, Justin M, Wang, Lee-Ping, De Silva, Nuwan, King, Rollin A, Stanton, John F, Gordon, Mark S, Windus, Theresa L, Sherrill, C David, Burns, Lori A

المصدر: The Journal of Chemical Physics. 155(20)

مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/4h8041v9Test

المؤلفون: Nelson, Philip M., Glick, Zachary L., Sherrill, C. David

المصدر: Journal of Chemical Physics; 9/7/2023, Vol. 159 Issue 9, p1-11, 11p

مصطلحات موضوعية: COUPLED-cluster theory, QUANTUM computing, QUANTUM chemistry, MOLECULES

المؤلفون: Sargent, Caroline T., Kasera, Raina, Glick, Zachary L., Sherrill, C. David, Cheney, Daniel L.

المصدر: Journal of Chemical Physics; 6/28/2023, Vol. 158 Issue 24, p1-13, 13p

مصطلحات موضوعية: INTERMOLECULAR interactions, COMPUTATIONAL chemistry, HYDROGEN bonding, BINDING energy, DIMERS, MOLECULAR clusters

المؤلفون: Borca, Carlos H., Glick, Zachary L., Metcalf, Derek P., Burns, Lori A., Sherrill, C. David

المصدر: Journal of Chemical Physics; 6/21/2023, Vol. 158 Issue 23, p1-17, 17p

مصطلحات موضوعية: MOLECULAR crystals, PERTURBATION theory, BENZENE, SMALL molecules, ENERGY consumption, DIMERS

المؤلفون: Spronk, Steven A., Glick, Zachary L., Metcalf, Derek P., Sherrill, C. David, Cheney, Daniel L.

المساهمون: National Science Foundation

المصدر: Scientific Data ; volume 10, issue 1 ; ISSN 2052-4463

مصطلحات موضوعية: Library and Information Sciences, Statistics, Probability and Uncertainty, Computer Science Applications, Education, Information Systems, Statistics and Probability

الإتاحة: https://doi.org/10.1038/s41597-023-02443-1Test
https://www.nature.com/articles/s41597-023-02443-1.pdfTest
https://www.nature.com/articles/s41597-023-02443-1Test

المؤلفون: Kumawat, Rameshwar L., Sherrill, C. David

المساهمون: Division of Chemistry

المصدر: Journal of Chemical Information and Modeling ; volume 63, issue 10, page 3150-3157 ; ISSN 1549-9596 1549-960X

الإتاحة: https://doi.org/10.1021/acs.jcim.3c00428Test

المؤلفون: Xie, Yi, Glick, Zachary L., Sherrill, C. David

المصدر: Journal of Chemical Physics; 3/7/2023, Vol. 158 Issue 9, p1-11, 11p

مصطلحات موضوعية: CARBON dioxide, MOLECULAR crystals, BENZENE, PERTURBATION theory, DISPERSION (Chemistry), TRIAZINES