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Titolo:
Lie algebraic approach to potential energy surface for symmetric triatomicmolecules
Autore:
Ding, SL; Zheng, YJ;
Indirizzi:
Shandong Univ, Inst Theoret Chem, Shandong 250100, Peoples R China Shandong Univ Shandong Peoples R China 250100 ng 250100, Peoples R China
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 10, volume: 111, anno: 1999,
pagine: 4466 - 4471
SICI:
0021-9606(19990908)111:10<4466:LAATPE>2.0.ZU;2-K
Fonte:
ISI
Lingua:
ENG
Soggetto:
ROTATION-VIBRATION SPECTRA;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
15
Recensione:
Indirizzi per estratti:
Indirizzo: Ding, SL Shandong Univ, Inst Theoret Chem, Shandong 250100, Peoples R China Shandong Univ Shandong Peoples R China 250100 , Peoples R China
Citazione:
S.L. Ding e Y.J. Zheng, "Lie algebraic approach to potential energy surface for symmetric triatomicmolecules", J CHEM PHYS, 111(10), 1999, pp. 4466-4471

Abstract

Potential energy surfaces play an important role in studying theoretical chemistry. In this work, the expression of the potential energy surface containing information about the bending motion of triatomic molecules is derived by using the semiclassical limit of the algebraic Hamiltonian with the dynamical symmetry group U-1(4)circle times U-2(4). And, we also obtain the force constants. The method can be applied to a number of stable triatomic molecules, such as, H2O, H2S. (C) 1999 American Institute of Physics. [S0021-9606(99)02633-1].

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Documento generato il 13/07/20 alle ore 14:21:12