Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 17
Results: 6
Confining CO<sub>2</sub> inside sI clathrate‐hydrates: The impact of the CO<sub>2</sub>–water interaction on quantized dynamics.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1587, doi. 10.1002/jcc.27110
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- Article
On the axial chirality of leucoindigo.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1578, doi. 10.1002/jcc.27109
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- Article
All‐atom simulations of the trimeric spike protein of SARS‐CoV‐2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein.
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- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1560, doi. 10.1002/jcc.27108
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- Article
Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis.
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- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1550, doi. 10.1002/jcc.27107
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- Article
EPISOL: A software package with expanded functions to perform 3D‐RISM calculations for the solvation of chemical and biological molecules.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1536, doi. 10.1002/jcc.27088
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 17, p. 1531, doi. 10.1002/jcc.26911
- Publication type:
- Article