Works matching IS 01928651 AND DT 2018 AND VI 39 AND IP 21
Results: 15
Cover Image, Volume 39, Issue 21.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. C2, doi. 10.1002/jcc.25388
- Publication type:
- Article
Cover Image, Volume 39, Issue 21.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. C1, doi. 10.1002/jcc.25388
- Publication type:
- Article
Revised mechanism of carboxylation of ribulose‐1,5‐biphosphate by rubisco from large scale quantum chemical calculations.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1656, doi. 10.1002/jcc.25343
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- Article
A refined cavity construction algorithm for the conductor‐like screening model.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1648, doi. 10.1002/jcc.25342
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- Publication type:
- Article
Fluoride anion sensing mechanism of a BODIPY‐linked hydrogen‐bonding probe.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1639, doi. 10.1002/jcc.25341
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- Publication type:
- Article
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1682, doi. 10.1002/jcc.25339
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- Publication type:
- Article
Free energy landscapes of prototropic tautomerism in pyridoxal 5′‐phosphate schiff bases at the active site of an enzyme in aqueous medium.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1629, doi. 10.1002/jcc.25338
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- Article
Fragment‐based quantum mechanical calculation of protein–protein binding affinities.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1617, doi. 10.1002/jcc.25236
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- Article
Estimations of energy of noncovalent bonding from integrals over interatomic zero‐flux surfaces: Correlation trends and beyond.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1607, doi. 10.1002/jcc.25235
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- Publication type:
- Article
Calculation of the excited states properties of LH1 complex of Thermochromatium tepidum.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1599, doi. 10.1002/jcc.25232
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- Article
Fullerene faraday cage keeps magnetic properties of inner cluster pristine.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1594, doi. 10.1002/jcc.25231
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- Article
Magnetic ordering and metal‐atom site preference in tetragonal CrMnAs: Electronic correlation effects.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1585, doi. 10.1002/jcc.25230
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- Publication type:
- Article
High performance collision cross section calculation—HPCCS.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1675, doi. 10.1002/jcc.25199
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- Publication type:
- Article
StreaMD: Advanced analysis of molecular dynamics using R.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1666, doi. 10.1002/jcc.25197
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- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 21, p. 1579, doi. 10.1002/jcc.25004
- Publication type:
- Article