المؤلفون: Olive, Laura N., Heide, Alexandra D., Turney, Justin M., Schaefer, Henry F.

المساهمون: National Science Foundation Graduate Research Fellowship Program, U.S. Department of Energy

المصدر: ACS Earth and Space Chemistry ; ISSN 2472-3452 2472-3452

الإتاحة: https://doi.org/10.1021/acsearthspacechem.4c00040Test

المؤلفون: Tran, Phuong M., Wang, Yuzhong, Dzikovski, Boris, Lahm, Mitchell E., Xie, Yaoming, Wei, Pingrong, Klepov, Vladislav V., Schaefer, Henry F., Robinson, Gregory H.

المساهمون: Division of Chemistry, Office of Science

المصدر: Journal of the American Chemical Society ; volume 146, issue 23, page 16340-16347 ; ISSN 0002-7863 1520-5126

الإتاحة: https://doi.org/10.1021/jacs.4c05631Test

المؤلفون: Vermeeren, Pascal, Dalla Tiezza, Marco, Wolf, Mark E., Lahm, Mitchell E., Allen, Wesley D., Schaefer, Henry F., Hamlin, Trevor A., Bickelhaupt, F. Matthias

المساهمون: U.S. Department of Energy, Nederlandse Organisatie voor Wetenschappelijk Onderzoek

المصدر: Physical Chemistry Chemical Physics ; volume 26, issue 11, page 9073-9073 ; ISSN 1463-9076 1463-9084

الإتاحة: https://doi.org/10.1039/d4cp90047bTest
http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP90047BTest

المؤلفون: Tran, Phuong M., Wang, Yuzhong, Lahm, Mitchell E., Wei, Pingrong, Schaefer, Henry F., Robinson, Gregory H.

المساهمون: Division of Chemistry, Office of Science

المصدر: Dalton Transactions ; volume 53, issue 14, page 6178-6183 ; ISSN 1477-9226 1477-9234

الإتاحة: https://doi.org/10.1039/d3dt03843bTest
http://pubs.rsc.org/en/content/articlepdf/2024/DT/D3DT03843BTest

المؤلفون: Poncelet, Ethan J., Mull, Henry F., Abate, Yohannes, Robinson, Gregory H., Douberly, Gary E., Turney, Justin M., Schaefer, Henry F.

المساهمون: Basic Energy Sciences, Division of Chemistry, National Science Foundation

المصدر: Physical Chemistry Chemical Physics ; volume 26, issue 16, page 12444-12452 ; ISSN 1463-9076 1463-9084

الإتاحة: https://doi.org/10.1039/d3cp06098eTest
http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP06098ETest

المؤلفون: Zhang, Jiejing, Li, Longfei, Xie, Xiaofeng, Song, Xue-Qing, Schaefer, Henry F.

المساهمون: U.S. Department of Energy, National Natural Science Foundation of China, Innovation Capacity Improvement Plan of Hebei Province, Jointed Key Pharmaceutical and Drug Project of Hebei Province, Natural Science Interdisciplinary Research Program of Hebei University

المصدر: ACS Organic & Inorganic Au ; volume 4, issue 2, page 258-267 ; ISSN 2694-247X 2694-247X

الإتاحة: https://doi.org/10.1021/acsorginorgau.3c00064Test

المؤلفون: Xia, Shu-Hua, He, Jihuan, Liu, Zhuoqun, Liu, Yunhan, Zhang, Yan, Xie, Yaoming, Lahm, Mitchell E., Robinson, Gregory H., Schaefer, Henry F.

المساهمون: Division of Chemistry, Basic Energy Sciences, National Natural Science Foundation of China

المصدر: The Journal of Physical Chemistry A ; volume 128, issue 3, page 563-571 ; ISSN 1089-5639 1520-5215

مصطلحات موضوعية: Physical and Theoretical Chemistry

الإتاحة: https://doi.org/10.1021/acs.jpca.3c05945Test

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: Wolf, Mark E., Norris, J. Widener, Fynewever, Herb, Turney, Justin M., Schaefer, Henry F., III

المصدر: Journal of Chemical Education. Mar 2022 99(3):1479-1487.

تمت مراجعته من قبل الزملاء: Y

Page Count: 9

الواصفات: Science Instruction, Science Laboratories, Chemistry, Computer Simulation, Undergraduate Study, College Science, Energy, Prediction, Computation, Costs, Computer Software, Educational Technology, Accuracy

المؤلفون: Lahm, Mitchell E., Bartlett, Marcus A., Liang, Tao, Pu, Liang, Allen, Wesley D., Schaefer, Henry F.

المصدر: Journal of Chemical Physics; 7/14/2023, Vol. 159 Issue 2, p1-16, 16p

مصطلحات موضوعية: ALKYL radicals, POTENTIAL energy surfaces, TRANSITION state theory (Chemistry), ELECTRON configuration, OXIDATION, CONFORMATIONAL isomers