Works matching IS 00207608 AND DT 2008 AND VI 108 AND IP 7

Results: 11

Theoretical studies on the binding models of tetramethylammonium with phenol: Cation-π and hydrogen-bond interactions.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1294, doi. 10.1002/qua.21625

By:

Jiang, Yanke;
Wu, Jun;
Zou, Jianwei;
Lu, Yunxiang;
Hu, Guixiang;
Yu, Qingsen

Publication type:

Article

Whether proton transition to the triphosphate tail of ATP occurs at protein kinase environment: A Car-Parrinello ab initio molecular dynamics study.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1239, doi. 10.1002/qua.21622

By:

Yang, Sheng‐Yong;
Zou, Jun;
Xiang, Ming‐Li;
Xie, Guo‐Bin;
Shi, Bing;
Wei, Yu‐Quan

Publication type:

Article

Dissociation of a diatomic molecule induced by discontinuous reversals of a static electric field.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1209, doi. 10.1002/qua.21623

By:

Ghosh, S.;
Bhattacharyya, S. P.

Publication type:

Article

Mechanism for the gas-phase reaction between OH and 3-methylfuran: A theoretical study.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1232, doi. 10.1002/qua.21617

By:

Zhang, Weichao;
Du, Benni;
Mu, Lailong;
Feng, Changjun

Publication type:

Article

The theoretical study on anionic polymerization mechanism of maleimide: Chain propagation by p-π conjugation process.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1257, doi. 10.1002/qua.21606

By:

Hua, Xiao;
Bei, Feng‐Li;
Wang, Xin;
Yang, Xu‐Jie;
Lu, Lu‐De

Publication type:

Article

Ab initio study of the photochemistry of aminopyrimidine.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1266, doi. 10.1002/qua.21612

By:

Zechmann, Gunther;
Barbatti, Mario

Publication type:

Article

Central moments in quantum chemistry.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1220, doi. 10.1002/qua.21609

By:

Small, David W.;
Head‐Gordon, Martin

Publication type:

Article

Density functional theory study on hydrogen-bonded complexes of adenine with polyformamide molecules.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1287, doi. 10.1002/qua.21626

By:

Tang, Ke;
Sun, Haitao;
Zhou, Zhengyu;
Wang, Zhizhong

Publication type:

Article

Comment on the connected-moments polynomial approach.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1304, doi. 10.1002/qua.21627

By:

Marmorino, M. G.

Publication type:

Article

Tautomeric preferences and electron delocalization in biurets, thiobiurets, and dithiobiurets: An ab initio study.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1277, doi. 10.1002/qua.21629

By:

Adane, Legesse;
Bharatam, Prasad V.

Publication type:

Article

Isomerization of HNO to HON in the singlet state assisted by amino acid residues and/or water molecules.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 7, p. 1246, doi. 10.1002/qua.21634

By:

Shi, Junyou;
Li, Ping;
Bu, Yuxiang;
Wang, Weihua;
Mou, Zhaoxia;
Song, Rui

Publication type:

Article