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Volumn 105, Issue 14, 1996, Pages 5687-5696

Electronic spectroscopy of jet-cooled benzylidenecyclobutane, a sterically hindered styrene

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CONFORMATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; FREQUENCIES; MOLECULAR BEAMS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHOTOIONIZATION; SUPERSONIC FLOW; VARIATIONAL TECHNIQUES;

EID: 0030575584     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472413     Document Type: Article
Times cited : (3)

References (38)
  • 16
    • 85033054344 scopus 로고    scopus 로고
    • note
    • The original estimate of the equilibrium torsional angle from Ref. 15 of 23° was based in part on semiempirical AMI calculations which have recently been repeated at the ab initia 3-21G level to yield the 45° value. These calculations also result in two equivalent ground state conformations which do not interconvert over a low energy barrier along an adiabatic torsional coordinate.
  • 25
    • 0003845932 scopus 로고    scopus 로고
    • Quantum Chemistry Program Exchange No. 455, Department of Chemistry, Indiana University, Bloomington, IN.
    • J. J. P. Stewart, MOPAC ver. 5.00. Quantum Chemistry Program Exchange No. 455, Department of Chemistry, Indiana University, Bloomington, IN.
    • MOPAC Ver. 5.00.
    • Stewart, J.J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.