Electron momentum distributions of the highest occupied molecular orbital of CF3Br: Delocalization of halogen lone-pair orbitals

Chinese Physics Letters

Volumn 22, Issue 7, 2005, Pages 1649-1651

  Wu, Xing Ju ^a   Chen, Xiang Jun ^a   Chen, Li Qing ^a   Li, Zhong Jun ^a   Yang, Xue Feng ^a   Shan, Xu ^a   Zheng, Yan You ^a   Xu, Ke Zun ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; MOMENTUM;

BASIS SETS; DELOCALIZATIONS; DENSITY-FUNCTIONAL-THEORY; DFT/B3LYP CALCULATIONS; ELECTRON MOMENTUM DISTRIBUTION; ELECTRON MOMENTUM SPECTROSCOPY; HARTREE-FOCK; HIGHEST OCCUPIED MOLECULAR ORBITAL; LONE PAIR; ORBITALS;

BROMINE COMPOUNDS;

EID: 22044454412     PISSN: 0256307X     EISSN: None     Source Type: Journal    
DOI: 10.1088/0256-307X/22/7/025     Document Type: Review

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