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Works matching IS 00207608 AND DT 2001 AND VI 82 AND IP 2

Results: 5

1

Theoretical study of the dehydrogenate reaction of H<sub>2</sub>S by Sc<sup>+</sup>(<sup>1</sup>D).

Published in:

International Journal of Quantum Chemistry, 2001, v. 82, n. 2, p. 60, doi. 10.1002/1097-461X(2001)82:2<60::AID-QUA1015>3.0.CO;2-O

By:

Ye, Song

Publication type:

Article

2

Electronic spectra and first-order hyperpolarizability of 4-(dicyanomethylene)-2,6-bis- (2′-thiophene-vinyl)-pyran derivatives.

Published in:

International Journal of Quantum Chemistry, 2001, v. 82, n. 2, p. 65, doi. 10.1002/1097-461X(2001)82:2<65::AID-QUA1021>3.0.CO;2-U

By:

Yongjun, Liu;
Ying, Liu;
Xian, Zhao;
Chengbu, Liu

Publication type:

Article

3

Quantum chemical calculations of geometries and gas-phase deprotonation energies of linear polyyne chains.

Published in:

International Journal of Quantum Chemistry, 2001, v. 82, n. 2, p. 73, doi. 10.1002/1097-461X(2001)82:2<73::AID-QUA1025>3.0.CO;2-H

By:

Mölder, U.;
Burk, P.;
Koppel, I. A.

Publication type:

Article

4

Overlap repulsion with Löwdin's pairing theorem*.

Published in:

International Journal of Quantum Chemistry, 2001, v. 82, n. 2, p. 53, doi. 10.1002/1097-461X(2001)82:2<53::AID-QUA1029>3.0.CO;2-B

By:

Hamza, A.;
Mayer, I.

Publication type:

Article

5

Parameterization of the approximate valence bond (AVB) method to describe potential energy surface in the reaction catalyzed by HIV-1 protease.

Published in:

International Journal of Quantum Chemistry, 2001, v. 82, n. 2, p. 86, doi. 10.1002/1097-461X(2001)82:2<86::AID-QUA1024>3.0.CO;2-E

By:

Trylska, Joanna;
Grochowski, Paweł;
Geller, Maciej

Publication type:

Article