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Volumn 106, Issue 20, 2002, Pages 5169-5176

Electronic structure of halogen-substituted methyl radicals: Equilibrium geometries and vibrational spectra of CH2Cl and CH2F

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; HALOGENATION; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS; SUBSTITUTION REACTIONS;

EID: 0037162188     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020275w     Document Type: Article
Times cited : (14)

References (92)
  • 65
    • 0004040379 scopus 로고
    • note
    • ACES II. Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. 1993. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
    • (1993) ACES II
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3    Lauderdale, W.J.4    Bartlett, R.J.5
  • 71
    • 0011227855 scopus 로고    scopus 로고
    • note
    • LEVEL 7.1: A Computer Program for Solving the Radial Schrodinger Equation for Bound and Quasibound Levels. Roy, R. J. Le University of Waterloo Chemical Physics Research Report CP-642R 2000. The source code and manual for this program may be obtained from the www site http://theochem.uwaterloo.ca/~leroy.
  • 73
    • 0011195501 scopus 로고    scopus 로고
    • note
    • C(Θ) less dramatic.
  • 76
    • 0011159609 scopus 로고    scopus 로고
    • note
    • 3.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.