Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 23
Results: 6
Molecular tailoring approach as tool for revealing resonance‐assisted hydrogen bond: Case study of Z‐pyrrolylenones with the NH⋯OС intramolecular hydrogen bond.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1596, doi. 10.1002/jcc.26960
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- Article
Imidazole and nitroimidazole derivatives as NADH‐fumarate reductase inhibitors: Density functional theory studies, homology modeling, and molecular docking.
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- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1573, doi. 10.1002/jcc.26959
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- Article
Molecular properties and tautomeric equilibria of isolated flavins.
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- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1561, doi. 10.1002/jcc.26957
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- Article
Uncovering the hidden reactivity of benzyne/aryne precursors utilized under milder condition: Bonding and stability studies by EDA‐NOCV analyses.
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- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1543, doi. 10.1002/jcc.26956
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- Article
Automation of AMOEBA polarizable force field for small molecules: Poltype 2.
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- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1530, doi. 10.1002/jcc.26954
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 23, p. 1525, doi. 10.1002/jcc.26651
- Publication type:
- Article