Cover Image.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. i, doi. 10.1002/jcc.26789
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 2
Results: 8
1
2
The Ad‐MD method to calculate NMR shift including effects due to conformational dynamics: The <sup>31</sup>P NMR shift in DNA.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 132, doi. 10.1002/jcc.26778
- By:
- Publication type:
- Article
3
The effect of midbond functions on interaction energies computed using MP2 and CCSD(T).
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 121, doi. 10.1002/jcc.26777
- By:
- Publication type:
- Article
4
A DLPNO‐CCSD(T) benchmarking study of intermolecular interactions of ionic liquids.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 106, doi. 10.1002/jcc.26776
- By:
- Publication type:
- Article
5
ParaCopasi: A package for parallel biochemical simulation and analysis.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 144, doi. 10.1002/jcc.26775
- By:
- Publication type:
- Article
6
Graphene‐induced planarization of cyclooctatetraene derivatives.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 96, doi. 10.1002/jcc.26774
- By:
- Publication type:
- Article
7
CIFDock: A novel CHARMM‐based flexible receptor–flexible ligand docking protocol.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 84, doi. 10.1002/jcc.26759
- By:
- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 2, p. 79, doi. 10.1002/jcc.26567
- Publication type:
- Article