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Volumn 103, Issue 2-10, 1999, Pages 1367-1375

Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function: Gas-and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; ATOMS; CHARGE TRANSFER; CHEMICAL REACTIONS; ELECTROSTATICS; MOLECULES; SOLUTIONS; SOLVENTS;

EID: 0033097377     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982801i     Document Type: Article
Times cited : (46)

References (28)
  • 6
    • 0345747195 scopus 로고    scopus 로고
    • Private communication. We thank these authors for making available to us their results prior to publication
    • Fuentealba, P.; Savin, A. Private communication. We thank these authors for making available to us their results prior to publication.
    • Fuentealba, P.1    Savin, A.2
  • 8
    • 0003569570 scopus 로고
    • Breslow, R., Goodenough, J. B., Halpern, J., Rowlinson, J. S., Eds.; The International Series of Monographs on Chemistry; Oxford Science Publications: New York
    • Parr, R. G.; Yang, W. In Density Functional Theory of Atoms and Molecules; Breslow, R., Goodenough, J. B., Halpern, J., Rowlinson, J. S., Eds.; The International Series of Monographs on Chemistry; Oxford Science Publications: New York, 1989.
    • (1989) Density Functional Theory of Atoms and Molecules
    • Parr, R.G.1    Yang, W.2
  • 23
    • 0347639127 scopus 로고    scopus 로고
    • note
    • -, have been obtained from the atomic Mulliken population with hydrogens summed into heavy atom, for the different stationary points along a progress coordinate, for the systems with N, N - 1, and N - 2 electrons (charges: -1, 0, and +1, respectively).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.