Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 17
Results: 8
A DFT study on the insertion of CO<sub>2</sub> into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1322, doi. 10.1002/jcc.23930
- By:
- Publication type:
- Article
Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1286, doi. 10.1002/jcc.23931
- By:
- Publication type:
- Article
Electronic, bonding, and optical properties of 1d [ Cu CN] <sub>n</sub> ( n = 1-10) chains, 2d [ Cu CN] <sub>n</sub> ( n = 2-10) nanorings, and 3d [ Cu <sub>n</sub>( CN) <sub>n</sub>] <sub>m</sub> ( n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD-DFT methods
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1334, doi. 10.1002/jcc.23932
- By:
- Publication type:
- Article
Force field-dependent solution properties of glycine oligomers.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1275, doi. 10.1002/jcc.23934
- By:
- Publication type:
- Article
Cover Image, Volume 36, Issue 17.
- Published in:
- 2015
- Publication type:
- Other
[DBU-H]<sup>+</sup> and H<sub>2</sub>o as effective catalyst form for 2,3-dihydropyrido[2,3- d]pyrimidin-4(1 H)-ones: A DFT Study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1295, doi. 10.1002/jcc.23923
- By:
- Publication type:
- Article
GAMPMS: Genetic algorithm managed peptide mutant screening.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1304, doi. 10.1002/jcc.23928
- By:
- Publication type:
- Article
Polarizable coarse-grained models for molecular dynamics simulation of liquid cyclohexane.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 17, p. 1311, doi. 10.1002/jcc.23929
- By:
- Publication type:
- Article