Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 7

Results: 9

Nature of Brønsted acid-noble atom contacts: A reevaluation of hydrogen bonding criteria.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 473, doi. 10.1002/qua.24612

By:

Gąszowski, Dawid;
Ilczyszyn, Marek

Publication type:

Article

B-spline one-center method for molecular Hartree-Fock calculations.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 441, doi. 10.1002/qua.24582

By:

Hu, Shi ‐ Lin;
Zhao, Zeng ‐ Xiu;
Shi, Ting ‐ Yun

Publication type:

Article

On-site correlation of p-electron in d10 semiconductor zinc oxide.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 468, doi. 10.1002/qua.24593

By:

Deng, Xiao ‐ Yan;
Liu, Guang ‐ Hua;
Jing, Xi ‐ Ping;
Tian, Guang ‐ Shan

Publication type:

Article

Electronic and magnetic properties of iron adsorption on graphene with double hexagonal geometry.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 463, doi. 10.1002/qua.24592

By:

Naji, Sufyan;
Belhaj, Adil;
Labrim, Hicham;
Bhihi, Mohamed;
Benyoussef, Abdelilah;
El Kenz, Abdallah

Publication type:

Article

Inside Cover, Volume 114, Issue 7.

Published in:: 2014
Publication type:: Other

Cover Image, Volume 114, Issue 7.

Published in:: 2014
Publication type:: Other

A comparative DFT study on the mechanism of olefin epoxidation catalyzed by substituted binuclear peroxotungstates ([SeO4WO(O2)2MO(O2)2] n− (M = TiIV, VV, TaV, MoVI, WVI, TcVII, and ReVII))

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 458, doi. 10.1002/qua.24591

By:

Zhu, Bo;
Lang, Zhong Ling;
Yan, Li Kai;
Janjua, Muhammad Ramzan Saeed Ashraf;
Su, Zhong Min

Publication type:

Article

Are there really cooper pairs and persistent currents in aromatic molecules?

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 437, doi. 10.1002/qua.24613

By:

Squire, Richard H.;
March, Norman H.;
Rubio, Angel

Publication type:

Article

Theoretical investigations on C2H4Nb complex as a potential hydrogen storage system, using moller-plesset (MP2) and density functional theory.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 7, p. 449, doi. 10.1002/qua.24587

By:

Niaz, Saba;
Manzoor, Taniya;
Islam, Nasarul;
Pandith, Altaf Hussain

Publication type:

Article

Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 7

Nature of Brønsted acid-noble atom contacts: A reevaluation of hydrogen bonding criteria.

B-spline one-center method for molecular Hartree-Fock calculations.

On-site correlation of p-electron in d<sup>10</sup> semiconductor zinc oxide.

Electronic and magnetic properties of iron adsorption on graphene with double hexagonal geometry.

Inside Cover, Volume 114, Issue 7.

Cover Image, Volume 114, Issue 7.

Are there really cooper pairs and persistent currents in aromatic molecules?

Theoretical investigations on C<sub>2</sub>H<sub>4</sub>Nb complex as a potential hydrogen storage system, using moller-plesset (MP2) and density functional theory.