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Volumn 115, Issue 20, 2001, Pages 9243-9254

Role of molecular distortions in the spin-orbit coupling between the singlet and triplet states of the 4π electron systems C4H4, C5H5+, and C3H3-

(3) Shiota, Y a Kondo, M a Yoshizawa, K a

a KYUSHU UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HAMILTONIANS; HYDROGEN BONDS; NEGATIVE IONS; OPTIMIZATION; ORGANIC COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

CYCLOBUTADIENE; CYCLOPENTADIENYL CATION; CYCLOPROPENYL ANION; JAHN-TELLER VIBRATIONAL MODE; MOLECULAR DISTORTION; POTENTIAL ENERGY SURFACE; SPIN-ORBIT COUPLING;

MOLECULAR VIBRATIONS;

EID: 0035935992 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412250 Document Type: Article

Times cited : (25)

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