Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 5

Results: 9

Predicting the electronic and optical properties of IB metals doped monoclinic BiVO4: First principle calculations.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 388, doi. 10.1002/qua.25051

By:

Ding, Kaining;
Wen, Lili;
Xu, Lintao;
Wu, Huadeng;
Ye, Yiguang;
Zhang, Yongfan

Publication type:

Article

Electronic properties of polyoxometalate derivatives [( C2 B9 H11) M' M5 O18]n- ( M' = TiIV, MoVI, WVI; M = MoVI, WVI): Protonation, Electronic Spectra, and Redox Properties

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 396, doi. 10.1002/qua.25054

By:

Ma, Nana;
Li, Shujun;
Yan, Likai;
Wang, Wenyong;
Qiu, Yongqing;
Zhang, Guisheng

Publication type:

Article

Efficient simulation of large materials clusters using the jaguar quantum chemistry program: Parallelization and wavefunction initialization.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 357, doi. 10.1002/qua.25043

By:

Zhang, Jing;
Weisman, Andrew L.;
Saitta, Patrick;
Friesner, Richard A.

Publication type:

Article

Identifying similarities and differences between analogous bisdithiolene and bisdiselenolene complexes: A computational study.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 369, doi. 10.1002/qua.25044

By:

Bushnell, Eric A. C.;
Boyd, Russell J.

Publication type:

Article

Dynamics of electronic motion in hydrogen atom under parallel strong oscillating magnetic field and intense laser fields.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 377, doi. 10.1002/qua.25045

By:

Sadhukhan, M.;
Roy, Amlan K.;
Panigrahi, P. K.;
Deb, B. M.

Publication type:

Article

Cover Image, Volume 116, Issue 5.

Published in:: International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. i, doi. 10.1002/qua.25085
Publication type:: Article

Issue information.

Published in:: International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 333, doi. 10.1002/qua.25086
Publication type:: Article

Ab initio investigation of 2,2′-bis(4-trifluoromethylphenyl)-5,5′-bithiazole for the design of efficient organic field-effect transistors.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 339, doi. 10.1002/qua.25034

By:

Siddiqui, Shamoon Ahmad;
Al ‐ Hajry, Ali;
Al ‐ Assiri, M. S.

Publication type:

Article

Electronic and magnetic properties of small Rh nCa ( n = 1-9) clusters: A DFT study.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 5, p. 346, doi. 10.1002/qua.25038

By:

Soltani, Abdelhamid;
Boudjahem, Abdel ‐ Ghani;
Bettahar, Mohammed

Publication type:

Article

Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 5

Predicting the electronic and optical properties of IB metals doped monoclinic BiVO<sub>4</sub>: First principle calculations.

Electronic properties of polyoxometalate derivatives [( C<sub>2</sub> B<sub>9</sub> H<sub>11</sub>) M' M<sub>5</sub> O<sub>18</sub>]<sup>n-</sup> ( M' = Ti<sup>IV</sup>, Mo<sup>VI</sup>, W<sup>VI</sup>; M = Mo<sup>VI</sup>, W<sup>VI</sup>): Protonation, Electronic Spectra, and Redox Properties

Efficient simulation of large materials clusters using the jaguar quantum chemistry program: Parallelization and wavefunction initialization.

Identifying similarities and differences between analogous bisdithiolene and bisdiselenolene complexes: A computational study.

Dynamics of electronic motion in hydrogen atom under parallel strong oscillating magnetic field and intense laser fields.

Cover Image, Volume 116, Issue 5.

Issue information.

Ab initio investigation of 2,2′-bis(4-trifluoromethylphenyl)-5,5′-bithiazole for the design of efficient organic field-effect transistors.

Electronic and magnetic properties of small Rh<sub> n</sub>Ca ( n = 1-9) clusters: A DFT study.