Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis

Autor: Das, A. K., Urban, L., Leven, I., Loipersberger, M., Aldossary, A., Head-Gordon, M., Head-Gordon, T.

Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parameterize since they are fit to data like total energies that only indirectly connect to their separable functional forms. Furthermore,

Externí odkaz: http://arxiv.org/abs/1905.07816

Het recht van de Dertiende Penning. Oude zakelijke rechten leven, I

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dris___00902::0c0e08a29848b362209491178f208520

Het ethos van de autobiograaf: Authenticiteit in Een geschreven leven I (2004) van Sybren Polet. Lezing voor de Werkgroep over Literatuur en Cultuur (WOLEC) op 2 februari 2011

Autor: De Coux, Johanna

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Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3848::20087d8559e6918d4efa400fd96e5624
https://biblio.vub.ac.be/vubir/het-ethos-van-de-autobiograaf-authenticiteit-in-een-geschreven-leven-i-2004-van-sybren-polet-lezing-voor-de-werkgroep-over-literatuur-en-cultuur-wolec-op-2-februari-2011(573cbe50-28c9-47b3-8121-780b4e11698c).html

Liv og leven i skolen

Autor: Mari-Anne Sørlie

Publikováno v: NOVA Rapport.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ed7de06ecea996652aed4f02b29dd09b
https://doi.org/10.7577/nova/rapporter/1998/12b

M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.

Autor: Witek J; Kenneth S. Pitzer Theory Center and Department of Chemistry., Heindel JP; Kenneth S. Pitzer Theory Center and Department of Chemistry.; Chemical Sciences Division, Lawrence Berkeley National Laboratory., Guan X; Kenneth S. Pitzer Theory Center and Department of Chemistry.; Chemical Sciences Division, Lawrence Berkeley National Laboratory., Leven I; Kenneth S. Pitzer Theory Center and Department of Chemistry., Hao H; Kenneth S. Pitzer Theory Center and Department of Chemistry., Naullage P; Kenneth S. Pitzer Theory Center and Department of Chemistry., LaCour A; Kenneth S. Pitzer Theory Center and Department of Chemistry.; Chemical Sciences Division, Lawrence Berkeley National Laboratory., Sami S; Kenneth S. Pitzer Theory Center and Department of Chemistry., Menger MFSJ; Stratingh Institute for Chemistry, University of Groningen, 9747 AG Groningen, The Netherlands., Cofer-Shabica DV; Department of Chemistry, University of Pennsylvania, Philadelphia, PA, 19128 USA., Berquist E; Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588, USA., Faraji S; Stratingh Institute for Chemistry, University of Groningen, 9747 AG Groningen, The Netherlands., Epifanovsky E; Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588, USA., Head-Gordon T; Kenneth S. Pitzer Theory Center and Department of Chemistry.; Chemical Sciences Division, Lawrence Berkeley National Laboratory.; Department of Bioengineering and Chemical and Biomolecular Engineering University of California, Berkeley, CA, USA.

Publikováno v: Molecular physics [Mol Phys] 2023; Vol. 121 (9-10). Date of Electronic Publication: 2022 Oct 07.