Works matching IS 00207608 AND DT 2008 AND VI 108 AND IP 8

Results: 13

A barrier-free atomic radical-molecule reaction: N (2D) NO2 (2A1) mechanistic study.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1309, doi. 10.1002/qua.21621

By:

Zuo, Ming‐Hui;
Liu, Hui‐Ling;
Huang, Xu‐Ri;
Zhan, Jin‐Hui;
Sun, Chia‐Chung

Publication type:

Article

Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1340, doi. 10.1002/qua.21628

By:

Stanchev, Stancho;
Jensen, Frank;
Manolov, Ilia

Publication type:

Article

Erratum: The symmetry group of nonrigid tetramethylsilane.

Published in:

2008

By:

Darafsheh, Mohammad Reza;
Ashrafi, Ali Reza;
Darafsheh, Arash

Publication type:

Erratum

Stabilities, electronic properties of exohedral fluorine and trifluoromethyl derivatives for Td C28 fullerene C28F4–n(CF3)n (n = 0,1,2,3,4).

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1391, doi. 10.1002/qua.21630

By:

Tang, Shu‐Wei;
Chang, Ying‐Fei;
Sun, Li‐Li;
Sun, Hao;
Su, Zhong‐Min;
Wang, Rong‐Shun

Publication type:

Article

Characterization of electronic structure and physicochemical properties of antiparasitic nifurtimox analogues: A theoretical study.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1369, doi. 10.1002/qua.21633

By:

Soriano‐Correa, Catalina;
Raya, A.;
Esquivel, Rodolfo O.

Publication type:

Article

Solvent effect on the reactivity of CIS-platinum (II) complexes: A density functional approach.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1400, doi. 10.1002/qua.21635

By:

Sarmah, Pubalee;
Deka, Ramesh C.

Publication type:

Article

Unusual pentagon and hexagon geometry of three isomers (no 1, 20, and 23) of fullerene C84.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1334, doi. 10.1002/qua.21638

By:

Khamatgalimov, Ayrat R.;
Luzhetskii, Andrey V.;
Kovalenko, Valeri I.

Publication type:

Article

Entanglement of angular momenta of atoms and molecules.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1352, doi. 10.1002/qua.21644

By:

Mishima, K.;
Yamashita, K.

Publication type:

Article

Binary encounter model for the electron impact K-shell ionization of atoms.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1326, doi. 10.1002/qua.21641

By:

Patoary, M. A. R.;
Uddin, M. Alfaz;
Haque, A. K. F.;
Shahjahan, M.;
Basak, A. K.;
Saha, B. C.

Publication type:

Article

Density functional theory calculation of 2p spectra of SiH4, PH3, H2S, HCl, and Ar.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1358, doi. 10.1002/qua.21643

By:

Chong, Delano P.;
Segala, Maximiliano;
Takahata, Yuji;
Baerends, E. J.

Publication type:

Article

Natural bond orbital-based energy density analysis for correlated methods: Second-order Møller–Plesset perturbation and coupled-cluster singles and doubles.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1316, doi. 10.1002/qua.21642

By:

Imamura, Yutaka;
Baba, Takeshi;
Nakai, Hiromi

Publication type:

Article

2D and 3D-QSAR studies on antiproliferative thiazolidine analogs.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1380, doi. 10.1002/qua.21651

By:

Liao, Si Yan;
Qian, Li;
Chen, Jin Can;
Lu, Hai Liang;
Zheng, Kang Cheng

Publication type:

Article

Comment: The symmetry group of nonrigid tetramethylsilane.

Published in:

International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1410, doi. 10.1002/qua.21654

By:

Stone, Anthony J.

Publication type:

Article

Works matching IS 00207608 AND DT 2008 AND VI 108 AND IP 8

A barrier-free atomic radical-molecule reaction: N (<sup>2</sup>D) NO<sub>2</sub> (<sup>2</sup>A<sub>1</sub>) mechanistic study.

Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins.

Erratum: The symmetry group of nonrigid tetramethylsilane.

Stabilities, electronic properties of exohedral fluorine and trifluoromethyl derivatives for T<sub>d</sub> C<sub>28</sub> fullerene C<sub>28</sub>F<sub>4–n</sub>(CF<sub>3</sub>)<sub>n</sub> (n = 0,1,2,3,4).

Characterization of electronic structure and physicochemical properties of antiparasitic nifurtimox analogues: A theoretical study.

Solvent effect on the reactivity of CIS-platinum (II) complexes: A density functional approach.

Unusual pentagon and hexagon geometry of three isomers (no 1, 20, and 23) of fullerene C<sub>84</sub>.

Entanglement of angular momenta of atoms and molecules.

Binary encounter model for the electron impact K-shell ionization of atoms.

Density functional theory calculation of 2p spectra of SiH<sub>4</sub>, PH<sub>3</sub>, H<sub>2</sub>S, HCl, and Ar.

Natural bond orbital-based energy density analysis for correlated methods: Second-order Møller–Plesset perturbation and coupled-cluster singles and doubles.

2D and 3D-QSAR studies on antiproliferative thiazolidine analogs.

Comment: The symmetry group of nonrigid tetramethylsilane.