Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 17
Results: 10
Front Cover.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. C1, doi. 10.1002/jcc.27427
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- Article
β‐sheets mediate the conformational change and allosteric signal transmission between the AsLOV2 termini.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1493, doi. 10.1002/jcc.27344
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- Article
Predicting the propene stereoselectivity on transition metal catalysts: A daunting task for density functional theory.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1483, doi. 10.1002/jcc.27343
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- Article
Simulation study on functional group‐modified Ni‐MOF‐74 for CH<sub>4</sub>/N<sub>2</sub> adsorption separation.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1515, doi. 10.1002/jcc.27342
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- Article
Py3BR: A software for computing atomic three‐body recombination rates.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1505, doi. 10.1002/jcc.27341
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- Article
RISMiCal: A software package to perform fast RISM/3D‐RISM calculations.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1470, doi. 10.1002/jcc.27340
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- Article
Hydrolysis mechanism of the cyclohexaborate anion: Unraveling the intricacies.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1456, doi. 10.1002/jcc.27339
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- Article
β‐D‐Glucopyranose—silver+ (1:1) complex as a small gas molecule scavenger.
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- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1434, doi. 10.1002/jcc.27337
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- Article
Resolving coupled pH titrations using alchemical free energy calculations.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1444, doi. 10.1002/jcc.27318
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 17, p. 1429, doi. 10.1002/jcc.27150
- Publication type:
- Article