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pro vyhledávání: '"Zimmerman PM"'
Autor:
Shao, Y, Gan, Z, Epifanovsky, E, Gilbert, ATB, Wormit, M, Kussmann, J, Lange, AW, Behn, A, Deng, J, Feng, X, Ghosh, D, Goldey, M, Horn, PR, Jacobson, LD, Kaliman, I, Khaliullin, RZ, Kus̈, T, Landau, A, Liu, J, Proynov, EI, Rhee, YM, Richard, RM, Rohrdanz, MA, Steele, RP, Sundstrom, EJ, Woodcock, HL, Zimmerman, PM, Zuev, D, Albrecht, B, Alguire, E, Austin, B, Beran, GJO, Bernard, YA, Berquist, E, Brandhorst, K, Bravaya, KB, Brown, ST, Casanova, D, Chang, CM, Chen, Y, Chien, SH, Closser, KD, Crittenden, DL, Diedenhofen, M, Distasio, RA, Do, H, Dutoi, AD, Edgar, RG, Fatehi, S, Fusti-Molnar, L, Ghysels, A, Golubeva-Zadorozhnaya, A, Gomes, J, Hanson-Heine, MWD, Harbach, PHP, Hauser, AW, Hohenstein, EG, Holden, ZC, Jagau, TC, Ji, H, Kaduk, B, Khistyaev, K, Kim, J, King, RA, Klunzinger, P, Kosenkov, D, Kowalczyk, T, Krauter, CM, Lao, KU, Laurent, AD, Lawler, KV, Levchenko, SV, Lin, CY, Liu, F, Livshits, E, Lochan, RC, Luenser, A, Manohar, P, Manzer, SF, Mao, SP, Mardirossian, N, Marenich, AV, Maurer, SA, Mayhall, NJ, Neuscamman, E, Oana, CM, Olivares-Amaya, R, Oneill, DP, Parkhill, JA, Perrine, TM, Peverati, R, Prociuk, A, Rehn, DR, Rosta, E, Russ, NJ, Sharada, SM, Sharma, S, Small, DW, Sodt, A
Publikováno v:
Molecular Physics, vol 113, iss 2
A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::42d721b79ca0a5bc0cba329d5fd5c92e
https://escholarship.org/uc/item/9wn3w79b
https://escholarship.org/uc/item/9wn3w79b
Akademický článek
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Akademický článek
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Autor:
Dang DK; Department of Chemistry, University of Michigan, Ann Arbor, MI 48109, USA. paulzim@umich.edu., Einkauf JD; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA. may1@ornl.gov., Ma X; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA. may1@ornl.gov., Custelcean R; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA. may1@ornl.gov., Ma YZ; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA. may1@ornl.gov., Zimmerman PM; Department of Chemistry, University of Michigan, Ann Arbor, MI 48109, USA. paulzim@umich.edu., Bryantsev VS; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA. may1@ornl.gov.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Sep 18; Vol. 26 (36), pp. 24008-24020. Date of Electronic Publication: 2024 Sep 18.
Autor:
Wang Y; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States., Das S; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Aboulhosn K; Department of Biological Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.; Program in Chemical Biology, University of Michigan, Ann Arbor, Michigan 48109, United States., Champagne SE; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Gemmel PM; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States., Skinner KC; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Ragsdale SW; Department of Biological Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Zimmerman PM; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Narayan ARH; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2024 Aug 21; Vol. 146 (33), pp. 23321-23329. Date of Electronic Publication: 2024 Aug 06.
Autor:
Rask AE; SandboxAQ, 780 High Street, Palo Alto, California 94301, United States.; Department of Chemistry, University of Michigan, 930 N. University Avenue, Ann Arbor, Michigan 48109, United States., Li L; Department of Mathematics, University of Michigan, 530 Church Street, Ann Arbor, Michigan 48109, United States.; Department of Mathematics, Southern University of Science and Technology, No. 1088 Xueyuan Road, Nanshan District, Shenzhen, 518055, Guangdong, China., Zimmerman PM; Department of Chemistry, University of Michigan, 930 N. University Avenue, Ann Arbor, Michigan 48109, United States.
Publikováno v:
The journal of physical chemistry. A [J Phys Chem A] 2024 Apr 25; Vol. 128 (16), pp. 3194-3204. Date of Electronic Publication: 2024 Apr 11.
Autor:
Kammeraad JA; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055, United States., Das S; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055, United States., Argüelles AJ; Synthetic Molecule Design and Development, Eli Lilly, Eli Lilly, Indianapolis, Indiana 46221, United States., Sayyed FB; Synthetic Molecule Design and Development, Eli Lilly Services India Pvt Ltd, Devarabeesanahalli, Bengaluru, Karnataka 560103, India., Zimmerman PM; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055, United States.
Publikováno v:
Organic letters [Org Lett] 2024 Apr 12; Vol. 26 (14), pp. 2867-2871. Date of Electronic Publication: 2024 Jan 19.
Autor:
Zhelavskyi O; Chemistry Department, University of Michigan, Ann Arbor, MI 48109, USA., Parikh S; Chemistry Department, University of Michigan, Ann Arbor, MI 48109, USA., Jhang YJ; Chemistry Department, University of Michigan, Ann Arbor, MI 48109, USA., Staples RJ; Department of Chemistry and Chemical Biology, Michigan State University, East Lansing, MI 48824, USA., Zimmerman PM; Chemistry Department, University of Michigan, Ann Arbor, MI 48109, USA., Nagorny P; Chemistry Department, University of Michigan, Ann Arbor, MI 48109, USA.
Publikováno v:
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 Mar 18; Vol. 63 (12), pp. e202318876. Date of Electronic Publication: 2024 Feb 12.
Autor:
Wang Y; Life Sciences Institute, Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Torma KJ; Life Sciences Institute, Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Pyser JB; Life Sciences Institute, Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Zimmerman PM; Life Sciences Institute, Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Narayan ARH; Life Sciences Institute, Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Publikováno v:
ACS central science [ACS Cent Sci] 2024 Feb 29; Vol. 10 (3), pp. 708-716. Date of Electronic Publication: 2024 Feb 29 (Print Publication: 2024).
Autor:
Skinner KC; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Kammeraad JA; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Wymore T; Laufer Center, Stony Brook University, Stony Brook, New York 11794, United States., Narayan ARH; Life Sciences Institute, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States., Zimmerman PM; Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2023 Nov 30; Vol. 127 (47), pp. 10097-10107. Date of Electronic Publication: 2023 Nov 17.