Zobrazeno 1 - 10
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pro vyhledávání: '"Hauser AW"'
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
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Autor:
Hardikar AV; Center for Soft Matter Research, Department of Physics, New York University, New York, NY 10003., Hauser AW; Center for Soft Matter Research, Department of Physics, New York University, New York, NY 10003.; Department of Chemistry, New York University, New York, NY 10003., Hopkins TM; Department of Chemistry, New York University, New York, NY 10003., Sacanna S; Department of Chemistry, New York University, New York, NY 10003., Chaikin PM; Center for Soft Matter Research, Department of Physics, New York University, New York, NY 10003.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Nov 19; Vol. 121 (47), pp. e2410840121. Date of Electronic Publication: 2024 Nov 14.
Autor:
Zang S; Department of Chemistry, New York University, New York, NY, USA., Hauser AW; Department of Chemistry, New York University, New York, NY, USA.; Department of Physics, New York University, New York, NY, USA., Paul S; Department of Chemistry, New York University, New York, NY, USA., Hocky GM; Department of Chemistry, New York University, New York, NY, USA. hockyg@nyu.edu.; Simons Center for Computational Physical Chemistry, New York University, New York, NY, USA. hockyg@nyu.edu., Sacanna S; Department of Chemistry, New York University, New York, NY, USA. s.sacanna@nyu.edu.
Publikováno v:
Nature materials [Nat Mater] 2024 Aug; Vol. 23 (8), pp. 1131-1137. Date of Electronic Publication: 2024 Jun 03.
Autor:
Wilhelmer R; Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria., Diez M; Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria., Krondorfer JK; Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria., Hauser AW; Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2024 May 29; Vol. 146 (21), pp. 14620-14632. Date of Electronic Publication: 2024 May 14.
Autor:
Hauser AW; Department of Chemistry, New York University, 29 Washington Place, New York, New York 10003, United States.; Center for Soft Matter Research, Department of Physics, New York University, 726 Broadway Avenue, New York, New York 10003, United States., Zhou Q; Department of Chemistry, New York University, 29 Washington Place, New York, New York 10003, United States., Chaikin PM; Center for Soft Matter Research, Department of Physics, New York University, 726 Broadway Avenue, New York, New York 10003, United States., Sacanna S; Department of Chemistry, New York University, 29 Washington Place, New York, New York 10003, United States.
Publikováno v:
Chemistry of materials : a publication of the American Chemical Society [Chem Mater] 2024 Apr 12; Vol. 36 (8), pp. 3970-3975. Date of Electronic Publication: 2024 Apr 12 (Print Publication: 2024).