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Works matching IS 00207608 AND DT 2004 AND VI 100 AND IP 3

Results: 6

1

Tests of perturbative DFT total energy estimates implemented in a Gaussian basisThis article was presented at the 43rd Annual Sanibel Symposium, February 22–March 1, 2003.The delay in publication of this manuscript is not the fault of the authors.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 245, doi. 10.1002/qua.20261

By:

Zhu, Wuming;
Trickey, S. B.

Publication type:

Article

2

Separability between valence and conduction bands in transition metal clusters.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 277, doi. 10.1002/qua.20192

By:

Aprà, Edoardo;
Carter, Emily A.;
Fortunelli, Alessandro

Publication type:

Article

3

Analysis of electron correlation in M2Te (M=Cu, Ag, Au) systems.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 293, doi. 10.1002/qua.20178

By:

Surong, Qi‐Mu;
Zhao, Yongfang;
Jing, Xiaogong;
Li, Xinying;
Su, Wenhui

Publication type:

Article

4

Structures and properties of (H2GaN3)n (n = 1–4) clusters: A DFT study.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 301, doi. 10.1002/qua.20175

By:

Xia, Qi Ying;
Xiao, He Ming;
Ju, Xue Hai;
Gong, Xue Dong

Publication type:

Article

5

Quantum analogue of the Kolmogorov–Arnold–Moser transition in different quantum anharmonic oscillators.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 254, doi. 10.1002/qua.20161

By:

Chattaraj, P. K.;
Maiti, B.;
Sengupta, S.

Publication type:

Article

6

Quantum study on the electrocyclic reactions of CH2CHCHCHX (X=H, F, Cl).

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 288, doi. 10.1002/qua.20159

By:

Deng, Ping;
Li, Lai‐Cai;
Tian, An‐Min;
Wong, Ning‐Bew

Publication type:

Article