Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 14

Results: 14

Inherent structure versus geometric metric for state space discretization.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1251, doi. 10.1002/jcc.24315

By:

Liu, Hanzhong;
Li, Minghai;
Fan, Jue;
Huo, Shuanghong

Publication type:

Article

Trimeric cluster of lithium amidoborane-the smallest unit for the modeling of hydrogen release mechanism.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1259, doi. 10.1002/jcc.24316

By:

Pomogaeva, Anna V.;
Morokuma, Keiji;
Timoshkin, Alexey Y.

Publication type:

Article

Interplay between aromaticity and strain in double group transfer reactions to 1,2-benzyne.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1265, doi. 10.1002/jcc.24317

By:

Fernández, Israel;
Cossío, Fernando P.

Publication type:

Article

A new approach for second-order perturbation theory.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1274, doi. 10.1002/jcc.24319

By:

Tomlinson, David G.;
Asadchev, Andrey;
Gordon, Mark S.

Publication type:

Article

Cover Image, Volume 37, Issue 14.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 14, p. i, doi. 10.1002/jcc.24388
Publication type:: Article

Flexibility-rigidity index for protein-nucleic acid flexibility and fluctuation analysis.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1283, doi. 10.1002/jcc.24320

By:

Opron, Kristopher;
Xia, Kelin;
Burton, Zach;
Wei, Guo‐Wei

Publication type:

Article

A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1296, doi. 10.1002/jcc.24323

By:

Shaghaghi, Hoora;
Ebrahimi, Hossein Pasha;
Fathi, Fariba;
Bahrami Panah, Niloufar;
Jalali‐Heravi, Mehdi;
Tafazzoli, Mohsen

Publication type:

Article

Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1306, doi. 10.1002/jcc.24327

By:

Chan, Bun;
Song, Jong‐Won;
Kawashima, Yukio;
Hirao, Kimihiko

Publication type:

Article

Coming Soon, Volume 37, Issue 14.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1245, doi. 10.1002/jcc.24081
Publication type:: Article

Table of Contents, Volume 37, Issue 14.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1248, doi. 10.1002/jcc.24082
Publication type:: Article

Editorial Board, Volume 37, Issue 14.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1247, doi. 10.1002/jcc.24083
Publication type:: Article

Copyright, Volume 37, Issue 14.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1246, doi. 10.1002/jcc.24084
Publication type:: Article

Curvature-dependent adsorption of water inside and outside armchair carbon nanotubes.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1313, doi. 10.1002/jcc.24342

By:

Lei, Shulai;
Paulus, Beate;
Li, Shujuan;
Schmidt, Burkhard

Publication type:

Article

Comparative studies on group III σ-hole and π-hole interactions.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 14, p. 1321, doi. 10.1002/jcc.24347

By:

Gao, Lei;
Zeng, Yanli;
Zhang, Xueying;
Meng, Lingpeng

Publication type:

Article