Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2365, doi. 10.1002/jcc.24584
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 28
Results: 10
1
2
Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2430, doi. 10.1002/jcc.24894
- By:
- Publication type:
- Article
3
An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2378, doi. 10.1002/jcc.24896
- By:
- Publication type:
- Article
4
Theoretical studies of spin state-specific [2 + 2] and [5 + 2] photocycloaddition reactions of n-(1-penten-5-yl)maleimide.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2388, doi. 10.1002/jcc.24897
- By:
- Publication type:
- Article
5
Comparing pairwise-additive and many-body generalized Born models for acid/base calculations and protein design.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2396, doi. 10.1002/jcc.24898
- By:
- Publication type:
- Article
6
Theoretical study on selectivity trends in ( N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2371, doi. 10.1002/jcc.24867
- By:
- Publication type:
- Article
7
Cover Image, Volume 38, Issue 28.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. i, doi. 10.1002/jcc.25063
- Publication type:
- Article
8
PyRETIS: A well-done, medium-sized python library for rare events.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2439, doi. 10.1002/jcc.24900
- By:
- Publication type:
- Article
9
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2411, doi. 10.1002/jcc.24902
- By:
- Publication type:
- Article
10
Partial atomic multipoles for internally consistent microelectrostatic calculations.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2420, doi. 10.1002/jcc.24903
- By:
- Publication type:
- Article