Cover Image, Volume 41, Issue 18.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. C2, doi. 10.1002/jcc.25943
- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 18
Results: 9
1
2
Erratum: "Martini Coarse‐Grained Model for Polyethylenimine" [J. Comput. Chem. 2019, 40, 607–618, DOI:10.1002/jcc.25747].
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1730, doi. 10.1002/jcc.26214
- By:
- Publication type:
- Article
3
How accurate are TD‐DFT excited‐state geometries compared to DFT ground‐state geometries?
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1718, doi. 10.1002/jcc.26213
- By:
- Publication type:
- Article
4
Mechanistic details of metal‐free cyclization reaction of organophosphorus oxide with alkynes mediated by 2,6‐lutidine and Tf<sub>2</sub>O.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1709, doi. 10.1002/jcc.26212
- By:
- Publication type:
- Article
5
A self‐consistent coulomb bath model using density fitting.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1698, doi. 10.1002/jcc.26211
- By:
- Publication type:
- Article
6
Acylation and deacylation mechanism and kinetics of penicillin G reaction with StreptomycesR61 DD‐peptidase.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1685, doi. 10.1002/jcc.26210
- By:
- Publication type:
- Article
7
Double hybrid DFT calculations with Slater type orbitals.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1660, doi. 10.1002/jcc.26209
- By:
- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. 1655, doi. 10.1002/jcc.25944
- Publication type:
- Article
9
Cover Image, Volume 41, Issue 18.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 18, p. C1, doi. 10.1002/jcc.25943
- Publication type:
- Article