Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 6
Results: 7
A tiny charge‐scaling in the OPLS‐AA + L‐OPLS force field delivers the realistic dynamics and structure of liquid primary alcohols.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 421, doi. 10.1002/jcc.26802
- By:
- Publication type:
- Article
Adatom mediated adsorption of N‐heterocyclic carbenes on Cu(111) and Au(111).
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 413, doi. 10.1002/jcc.26801
- By:
- Publication type:
- Article
BF<sub>3</sub>‐Catalyzed Mukaiyama aldol reaction of acetaldehyde with 2‐siloxy‐1‐propene.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 402, doi. 10.1002/jcc.26800
- By:
- Publication type:
- Article
Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 391, doi. 10.1002/jcc.26799
- By:
- Publication type:
- Article
Taking the Monte‐Carlo gamble: How not to buckle under the pressure!
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 431, doi. 10.1002/jcc.26798
- By:
- Publication type:
- Article
Using projection operators with maximum overlap methods to simplify challenging self‐consistent field optimization.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 382, doi. 10.1002/jcc.26797
- By:
- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 377, doi. 10.1002/jcc.26584
- Publication type:
- Article