Pseudo-Jahn-Teller origin of icosahedral instability in boron buckyball, B 80

Chemical Physics Letters

Volumn 543, Issue , 2012, Pages 111-116

  Muya, Jules Tshishimbi ^a   Sato, Tohru ^b   Nguyen, Minh Tho ^a   Ceulemans, Arnout ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP/6-31G; BUCKYBALL; DENSITY DISTRIBUTIONS; ENERGY STABILIZATION; FORCE CONSTANTS; FRONTIER MOLECULAR ORBITALS; ORBITAL EXCITATIONS; ORBITALS; REDUCED MATRIX; SYMMETRY-BREAKING; VIBRONIC COUPLING; VIRTUAL ORBITALS;

BORON; MOLECULAR ORBITALS;

JAHN-TELLER EFFECT;

EID: 84864470451     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.06.049     Document Type: Article

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