Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 17
Results: 8
Delineating Protein–Protein Curvilinear Dissociation Pathways and Energetics with Naïve Multiple‐Walker Umbrella Sampling Simulations.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1652, doi. 10.1002/jcc.25821
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- Article
RASPT2 study of the valence excited states of an iron–porphyrin–carbonyl model complex.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1614, doi. 10.1002/jcc.25819
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- Article
Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1664, doi. 10.1002/jcc.25818
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Description of noncovalent interactions involving π‐system with high precision: An assessment of RPA, MP2, and DFT‐D methods.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1643, doi. 10.1002/jcc.25817
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Description of halogen bonding in semiempirical quantum‐mechanical and self‐consistent charge density‐functional tight‐binding methods.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1633, doi. 10.1002/jcc.25816
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- Article
Stalis: A Computational Method for Template‐Based Ab Initio Ligand Design.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1622, doi. 10.1002/jcc.25813
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. 1609, doi. 10.1002/jcc.25426
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- Article
Cover Image, Volume 40, Issue 17.
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- Journal of Computational Chemistry, 2019, v. 40, n. 17, p. C1, doi. 10.1002/jcc.25391
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- Article