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Volumn 111, Issue 41, 2007, Pages 10409-10415

Why are some ML 2 molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) bent while others are linear? Implications of the Pseudo Jahn - Teller effect

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE EARTH DIHALIDES; ELECTRON PAIR REPULSION; HYBRIDIZATION; JAHN-TELLER EFFECT;

EID: 35948997405     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073207o     Document Type: Article
Times cited : (34)

References (52)
  • 3
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    • (1972) Molecular Geometry
    • Gillespie, R.J.1
  • 24
    • 0000497485 scopus 로고
    • (a) Coulson, C. A. Nature 1969, 227, 1106.
    • (1969) Nature , vol.227 , pp. 1106
    • Coulson, C.A.1
  • 44
    • 0003754095 scopus 로고
    • Ziesche, P, Eschrig, H, Eds, Akademie Verlag: Berlin, Germany
    • Perdew, J. P. In Electronic Structure of Solids; Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin, Germany, 1991.
    • (1991) Electronic Structure of Solids
    • Perdew, J.P.1
  • 47
    • 84858454270 scopus 로고    scopus 로고
    • Werner, H.-J, Knowles, P. J, Lindh, R, Manby, F. R, Schütz, M, Celani, P, Korona, T, Rauhut, G, Amos, R. D, Bernhardsson, A, Berning, A, Cooper, D. L, Deegan, M. J. O, Dobbyn, A. J, Eckert, F, Hampel, C, Hetzer, G, Lloyd, A. W, McNicholas, S. J, Meyer, W, Mura, M. E, Nicklass, A, Palmieri, P, Pitzer, R, Schumann, U, Stoll, H, Stone, A. J, Tarroni, R, Thorsteinsson, T. MOLPRO. a package of ab initio programs, version 2006.1, see
    • Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Rauhut, G.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lloyd, A. W.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T. MOLPRO. a package of ab initio programs, version 2006.1 ; see http://www.molpro.net.
  • 48
    • 0000626886 scopus 로고    scopus 로고
    • NIST-JANAF Thermochemical Tables, 4th edition, J. Phys. Chem. Ref. Data
    • Chase, M. W., Jr. NIST-JANAF Thermochemical Tables, 4th edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998; pp 1-1951.
    • (1998) Monograph , vol.9 , pp. 1-1951
    • Chase Jr., M.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.