Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 17

Results: 8

A DFT study on the insertion of CO2 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:

Marmitt, Sandro;
Gonçalves, Paulo F. B.

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:

Long, Thomas;
McDougal, Owen M.;
Andersen, Tim

Publication type:

Article

Electronic, bonding, and optical properties of 1d [ Cu CN] n ( n = 1-10) chains, 2d [ Cu CN] n ( n = 2-10) nanorings, and 3d [ Cu n( CN) n] m ( 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:

Tsipis, Athanassios C.;
Stalikas, Alexandros V.

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:

Drake, Justin A.;
Pettitt, B. Montgomery

Publication type:

Article

Cover Image, Volume 36, Issue 17.

Published in:: 2015
Publication type:: Other

[DBU-H]+ and H2o 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:

Yuan, Haiyan;
Zhang, Jingping

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:

Koput, Jacek

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:

Szklarczyk, Oliwia M.;
Arvaniti, Eirini;
van Gunsteren, Wilfred F.

Publication type:

Article

Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 17

A DFT study on the insertion of CO<sub>2</sub> into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid.

GAMPMS: Genetic algorithm managed peptide mutant screening.

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

Force field-dependent solution properties of glycine oligomers.

Cover Image, Volume 36, Issue 17.

[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.

Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH.

Polarizable coarse-grained models for molecular dynamics simulation of liquid cyclohexane.