Cover Image.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. C1, doi. 10.1002/jcc.26502
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 8
Results: 8
1
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Estimations of FH···X hydrogen bond energies from IR intensities: Iogansen's rule revisited.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 564, doi. 10.1002/jcc.26482
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- Publication type:
- Article
3
A computational method to simulate global conformational changes of proteins induced by cosolvent.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 552, doi. 10.1002/jcc.26481
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- Publication type:
- Article
4
Rational design of the nickel‐borane complex for efficient hydrogenation of styrene.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 545, doi. 10.1002/jcc.26480
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- Publication type:
- Article
5
Introducing Pep McConst—A user‐friendly peptide modeler for biophysical applications.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 572, doi. 10.1002/jcc.26479
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- Publication type:
- Article
6
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states".
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 528, doi. 10.1002/jcc.26478
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- Publication type:
- Article
7
Massively parallel quantum chemical density matrix renormalization group method.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 534, doi. 10.1002/jcc.26476
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- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 523, doi. 10.1002/jcc.26255
- Publication type:
- Article