Three‐site and five‐site fixed‐charge water models compatible with AMOEBA force field.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1034, doi. 10.1002/jcc.26151
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 10
Results: 10
1
2
Dual‐hybrid direct random phase approximation and second‐order screened exchange with nonlocal van der Waals correlations for noncovalent interactions.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1018, doi. 10.1002/jcc.26149
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- Article
3
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 971, doi. 10.1002/jcc.25912
- Publication type:
- Article
4
Cover Image, Volume 41, Issue 10.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. C1, doi. 10.1002/jcc.25911
- Publication type:
- Article
5
Amorphous polymerization of nitrogen in compressed cupric azide.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1026, doi. 10.1002/jcc.26150
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- Article
6
Calculation of the inner‐shell contribution to the correlation energy through DLPNO‐CEPA/1 and scaled same‐spin second‐order Møller–Plesset perturbation theory.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1012, doi. 10.1002/jcc.26147
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- Publication type:
- Article
7
Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1000, doi. 10.1002/jcc.26146
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- Publication type:
- Article
8
Anisotropic charge carrier transport of optoelectronic functional selenium‐containing organic semiconductor materials.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 976, doi. 10.1002/jcc.26145
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- Publication type:
- Article
9
fromage: A library for the study of molecular crystal excited states at the aggregate scale.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 1045, doi. 10.1002/jcc.26144
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- Publication type:
- Article
10
Correcting electrostatic artifacts due to net‐charge changes in the calculation of ligand binding free energies.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 10, p. 986, doi. 10.1002/jcc.26143
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- Publication type:
- Article