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Volumn 107, Issue 1, 2003, Pages 53-62

Intramolecular hydrogen bonding in 2-chloroethanol and 2-bromoethanol and anisotropic interactions with He*(23S) metastable atoms: Two-dimensional penning ionization electron spectroscopy combined with quantum chemistry calculations

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM CHEMISTRY;

EID: 0037426881     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021941w     Document Type: Article
Times cited : (12)

References (48)
  • 40
    • 0004203089 scopus 로고    scopus 로고
    • CAOS/CAMM Center: The Netherlands
    • Schaftenaar, G. MOLDEN 3.4; CAOS/CAMM Center: The Netherlands, 1998.
    • (1998) MOLDEN 3.4
    • Schaftenaar, G.1
  • 48
    • 0012722722 scopus 로고    scopus 로고
    • note
    • Mulliken atomic population analyses in the molecular orbitals (contribution of all atomic orbitals belonging to the same to the electronic density in a given molecular orbital) are performed at the HF/6311++G(2d,2p) level. The percentages are normalized for each fully (doubly) occupied molecular orbital.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.