Optimization of density fitting auxiliary Slater‐type basis functions for time‐dependent density functional theory.
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- Journal of Computational Chemistry, 2022, v. 43, n. 28, p. 1923, doi. 10.1002/jcc.26992
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Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 28
Results: 6
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Cover Image.
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- 2022
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- Correction Notice
3
Simulation of ligand dissociation kinetics from the protein kinase PYK2.
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- Journal of Computational Chemistry, 2022, v. 43, n. 28, p. 1911, doi. 10.1002/jcc.26991
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- Publication type:
- Article
4
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon.
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- Journal of Computational Chemistry, 2022, v. 43, n. 28, p. 1901, doi. 10.1002/jcc.26990
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- Publication type:
- Article
5
Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations.
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- Journal of Computational Chemistry, 2022, v. 43, n. 28, p. 1892, doi. 10.1002/jcc.26975
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- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 28, p. 1887, doi. 10.1002/jcc.26671
- Publication type:
- Article