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Volumn 100, Issue 2, 1996, Pages 601-605

An ab initio investigation of lithium ion hydration

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001470064     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9516912     Document Type: Article
Times cited : (68)

References (55)
  • 19
    • 0021687706 scopus 로고
    • Nagata, C.; Aida, M. J. Theor. Biol. 1984, 110, 569. This paper models the pore components of ion channels with ab initio theory.
    • (1984) J. Theor. Biol. , vol.110 , pp. 569
    • Nagata, C.1    Aida, M.2
  • 22
    • 84990634406 scopus 로고
    • For the original application of the CHA formalism see: Mayer, I. Int. J. Quantum Chem. 1983, 23, 341.
    • (1983) Int. J. Quantum Chem. , vol.23 , pp. 341
    • Mayer, I.1
  • 27
    • 0009465498 scopus 로고    scopus 로고
    • Chemistry Department, Memorial University of Newfoundland, St. John's, Nfld
    • Poirier, R. A.; Peterson, M. R.; Yadav, A. MUNGAUSS, Chemistry Department, Memorial University of Newfoundland, St. John's, Nfld.
    • MUNGAUSS
    • Poirier, R.A.1    Peterson, M.R.2    Yadav, A.3
  • 29
  • 40
    • 0016536544 scopus 로고
    • The algorithm is described in: Davidon, W. C. Math. Prog. 1975, 9, 1.
    • (1975) Math. Prog. , vol.9 , pp. 1
    • Davidon, W.C.1
  • 44
    • 85033061515 scopus 로고    scopus 로고
    • note
    • Removing the lithium-centered diffuse functions affected neither the geometry nor the interaction energy.
  • 45
    • 85033047695 scopus 로고    scopus 로고
    • note
    • 42
  • 48
    • 85033062057 scopus 로고    scopus 로고
    • note
    • 45 is planned which should solve some of these problems.
  • 50
    • 85033059485 scopus 로고    scopus 로고
    • Chemistry Department, Memorial University of New-foundland, St. John's, Newfoundland, Canada
    • Poirier, R. A.; Wang, Y.; Pye, C. C. MUNGAUSS 1.0; Chemistry Department, Memorial University of New-foundland, St. John's, Newfoundland, Canada.
    • MUNGAUSS 1.0
    • Poirier, R.A.1    Wang, Y.2    Pye, C.C.3
  • 52
    • 85033058650 scopus 로고    scopus 로고
    • The CHA method unfortunately failed here
    • The CHA method unfortunately failed here.
  • 54
    • 85033065888 scopus 로고    scopus 로고
    • Feller, D., private e-mail, 11 April 1995
    • Feller, D., private e-mail, 11 April 1995.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.