Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals

Journal of Chemical Physics

Volumn 123, Issue 12, 2005, Pages

  Saha, Saumitra ^a   Wang, Feng ^a   Falzon, Chantal T ^a   Brunger, Michael J ^b  

^a SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

^b FLINDERS UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; GREEN'S FUNCTION; IONIZATION; OPTIMIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; STATISTICAL METHODS;

1,3-BUTADIENE CONFORMERS; CARBON BONDS; HARTREE-FOCK METHOD; IONIZATION ENERGIES;

ORGANIC COMPOUNDS;

EID: 26044466040     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2034467     Document Type: Article

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