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Works matching IS 00207608 AND DT 1997 AND VI 67 AND IP 3

Results: 5

1

Cyanide adsorbed on coinage metal electrodes: A relativistic density functional investigation.

Published in:

International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 175, doi. 10.1002/(SICI)1097-461X(1998)67:3<175::AID-QUA4>3.0.CO;2-S

By:

Liao, Meng-Sheng;
Lü, Xin;
Zhang, Qian-Er

Publication type:

Article

2

Charge fluctuations and correlation strength in chemical bonds: First-row homonuclear diatomic molecules.

Published in:

International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 157, doi. 10.1002/(SICI)1097-461X(1998)67:3<157::AID-QUA3>3.0.CO;2-U

By:

Yu, M.;
Dolg, M.;
Fulde, P.;
Stoll, H.

Publication type:

Article

3

Correlation potentials for the He atom and the hydrogen molecule: A comparison between the correlation factor approach and DFT correlation energy functionals.

Published in:

International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 143, doi. 10.1002/(SICI)1097-461X(1998)67:3<143::AID-QUA2>3.0.CO;2-V

By:

Moscardó, Federico;
Pérez-Jiménez, Angel J.

Publication type:

Article

4

Adiabatic evolution of eigenspectra of model 1-D and 2-D Hamiltonians: Quantum adiabatic switching algorithm in a time-independent Fourier grid Hamiltonian framework.

Published in:

International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 133, doi. 10.1002/(SICI)1097-461X(1998)67:3<133::AID-QUA1>3.0.CO;2-W

By:

Sarkar, Pranab;
Bhattacharyya, S. P.

Publication type:

Article

5

Theoretical study of fullerene derivatives: C.

Published in:

International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 187, doi. 10.1002/(SICI)1097-461X(1998)67:3<187::AID-QUA5>3.0.CO;2-R

By:

Lu, Li-Hwa;
Sun, Kuang-Chung;
Chen, Cheng

Publication type:

Article