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Volumn 104, Issue 26, 2000, Pages 6227-6232

Molecular structures and energetics of Cl2CO, ClCO, Br2CO, and BrCO

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BROMINE COMPOUNDS; CHLORINE COMPOUNDS; COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; MOLECULES; PARTICLES (PARTICULATE MATTER); THERMAL EFFECTS;

EID: 0034225838     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0005571     Document Type: Article
Times cited : (18)

References (66)
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    • (1934) Phys. Rev. , vol.46 , pp. 618
    • Møller, C.1    Plesset, M.S.2
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    • Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York
    • (b) Andzelm, J. In Density Functional Theory in Chemistry; Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155.
    • (1991) Density Functional Theory in Chemistry , pp. 155
    • Andzelm, J.1
  • 32
    • 3342922190 scopus 로고
    • (c) Andzelm, J. W.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280. DGauss is a density functional program that is part of Unichem and is available from Oxford Molecular. Versions 4.1 and 5.0 Beta were used.
    • (1992) J. Chem. Phys. , vol.96 , pp. 1280
    • Andzelm, J.W.1    Wimmer, E.2
  • 36
    • 0342732707 scopus 로고    scopus 로고
    • Requested in MOLPRO by the keyword "UCCSD(T)" when combined with an ROHF wave function
    • Requested in MOLPRO by the keyword "UCCSD(T)" when combined with an ROHF wave function.
  • 40
    • 0342732706 scopus 로고    scopus 로고
    • in preparation. These basis sets can be obtained from the author on request
    • (c) Peterson, K. A., in preparation. These basis sets can be obtained from the author on request.
    • Peterson, K.A.1
  • 41
    • 0003392735 scopus 로고
    • U.S. National Bureau of Standards Circular 467; National Bureau of Standards: Washington, DC
    • Moore, C. E. Atomic Energy Levels; U.S. National Bureau of Standards Circular 467; National Bureau of Standards: Washington, DC, 1949.
    • (1949) Atomic Energy Levels
    • Moore, C.E.1
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    • (1992) J. Chem. Phys. , vol.96 , pp. 6104
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    • Feller, D. J. Chem. Phys. 1992, 96, 6104. Feller, D. J. Chem. Phys. 1993, 98, 7059.
    • (1993) J. Chem. Phys. , vol.98 , pp. 7059
    • Feller, D.1
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    • (1992)
    • Libudu, H.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.