Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 4
Results: 6
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 238, doi. 10.1002/jcc.24670
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- Article
The role of different sampling methods in improving biological activity prediction using deep belief network.
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- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 195, doi. 10.1002/jcc.24671
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- Article
Electron localization function from density components.
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- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 204, doi. 10.1002/jcc.24672
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- Article
Identification of thermostabilizing mutations for a membrane protein whose three-dimensional structure is unknown.
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- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 211, doi. 10.1002/jcc.24673
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- Article
Influence of the dipolar interactions on the relative stability in spin crossover systems.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 224, doi. 10.1002/jcc.24676
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- Article
The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 228, doi. 10.1002/jcc.24678
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- Article