Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 26
Results: 9
Cover Image, Volume 41, Issue 26.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. C2, doi. 10.1002/jcc.26410
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- Article
Toward prediction of the precatalyst activation mechanism through the cross‐coupling reactions: Reduction of Pd(II) to Pd(0) in precatalyst of the type Pd‐PEPPSI.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2296, doi. 10.1002/jcc.26393
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Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2278, doi. 10.1002/jcc.26392
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On the strength of hydrogen bonding within water clusters on the coordination limit.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2266, doi. 10.1002/jcc.26391
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Polarizable continuum models provide an effective electrostatic embedding model for fragment‐based chemical shift prediction in challenging systems.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2251, doi. 10.1002/jcc.26388
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Energy landscape study of water splitting and H<sub>2</sub> evolution at a ruthenium(II) pincer complex.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2240, doi. 10.1002/jcc.26385
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Ab‐initio molecular dynamics and hybrid explicit‐implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study.
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- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2228, doi. 10.1002/jcc.26384
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Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. 2223, doi. 10.1002/jcc.25976
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- Article
Cover Image.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 26, p. C1, doi. 10.1002/jcc.25975
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- Publication type:
- Article