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Volumn 3, Issue C, 1996, Pages 587-617

Molecular electrostatic potentials vs. DFT descriptors of reactivity

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EID: 0345381622     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1380-7323(96)80054-9     Document Type: Chapter
Times cited : (47)

References (103)
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    • Parr, R.G.1    Yang, W.2
  • 20
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    • Electronegativity
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    • (1987) Structure and Bonding , vol.66
  • 21
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    • Chemical Hardness
    • For recent review see. Sen K.D. (Ed), Springer, Berlin, Heidelberg
    • For recent review see. Chemical Hardness. In: Sen K.D. (Ed). Structure and Bonding 80 (1993), Springer, Berlin, Heidelberg
    • (1993) Structure and Bonding , vol.80
  • 23
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    • For an authoritative review on the HSAB principle, see, Harper and Row, Third Edition, Chapter 7
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    • Inorganic Chemistry
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  • 38
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    • Lipkowitz K.B., and Boyd D.B. (Eds), VCH, New York
    • Bachrach S.M. In: Lipkowitz K.B., and Boyd D.B. (Eds) (1995), VCH, New York
    • (1995)
    • Bachrach, S.M.1
  • 44
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    • For a review on the Electronic Structure of (among others metastable) anions see
    • For a review on the Electronic Structure of (among others metastable) anions see. Simons J., and Jordan K.D. Chem. Rev. 87 (1987) 535
    • (1987) Chem. Rev. , vol.87 , pp. 535
    • Simons, J.1    Jordan, K.D.2
  • 49
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    • CRAY-YMP version running UNICOS, Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University
    • CRAY-YMP version running UNICOS. GAMESS, General Atomic and Molecular Electronic Structure System (1991), Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University
    • (1991) GAMESS, General Atomic and Molecular Electronic Structure System
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    • Cray Research Inc., Eagon, MN
    • UniChem (1994), Cray Research Inc., Eagon, MN
    • (1994) UniChem
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    • For a detailed account see, M. Springborg Editor, John Wiley, in press
    • For a detailed account see P. Geerlings, F. De Proft and W. Langenaeker in "Density Functional Methods" : "Applications in Chemistry and Material Science", M. Springborg Editor, John Wiley, in press.
    • Density Functional Methods
    • Geerlings, P.1    De Proft, F.2    Langenaeker, W.3
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    • Organic Chemistry Monograph Series, Georg Thieme Verlag, Stuttgart
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    • Int. Ed. Engl.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.