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Volumn 49, Issue 3, 2004, Pages 175-184

An ab initio investigation of hydrogen phosphate ion hydration

Author keywords

Ab initio; Aqueous solutions; Cluster; Hydration; Hydrogen phosphate; Vibrational frequencies

Indexed keywords


EID: 14944371909     PISSN: 12056685     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper
Times cited : (20)

References (22)
  • 4
    • 14944339431 scopus 로고
    • Ph. D. Thesis (in German), Technical University of Dresden, Dresden, East Germany
    • W. Rudolph, Ph. D. Thesis (in German), Technical University of Dresden, Dresden, East Germany, 1986.
    • (1986)
    • Rudolph, W.1
  • 10
    • 0347170005 scopus 로고
    • C-F 6-31G: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56, 2257 (1972); H, C-F polarization functions: P.C. Hariharan and J. A. Pople, Theor. Chim. Acta (Berlin), 28, 213 (1973); Li-B: J.D. Dill and J.A. Pople, J. Chem. Phys., 62, 2921 (1975); Na-Ar: M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. Defrees and J.A. Pople, J. Chem. Phys., 77, 3654 (1982).
    • (1972) J. Chem. Phys. , vol.56 , pp. 2257
    • Hehre, W.J.1    Ditchfield, R.2    Pople, J.A.3
  • 11
    • 33748545144 scopus 로고
    • C-F 6-31G: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56, 2257 (1972); H, C-F polarization functions: P.C. Hariharan and J. A. Pople, Theor. Chim. Acta (Berlin), 28, 213 (1973); Li-B: J.D. Dill and J.A. Pople, J. Chem. Phys., 62, 2921 (1975); Na-Ar: M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. Defrees and J.A. Pople, J. Chem. Phys., 77, 3654 (1982).
    • (1973) Theor. Chim. Acta (Berlin) , vol.28 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2
  • 12
    • 33751054402 scopus 로고
    • C-F 6-31G: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56, 2257 (1972); H, C-F polarization functions: P.C. Hariharan and J. A. Pople, Theor. Chim. Acta (Berlin), 28, 213 (1973); Li-B: J.D. Dill and J.A. Pople, J. Chem. Phys., 62, 2921 (1975); Na-Ar: M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. Defrees and J.A. Pople, J. Chem. Phys., 77, 3654 (1982).
    • (1975) J. Chem. Phys. , vol.62 , pp. 2921
    • Dill, J.D.1    Pople, J.A.2
  • 13
    • 33645949559 scopus 로고
    • C-F 6-31G: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56, 2257 (1972); H, C-F polarization functions: P.C. Hariharan and J. A. Pople, Theor. Chim. Acta (Berlin), 28, 213 (1973); Li-B: J.D. Dill and J.A. Pople, J. Chem. Phys., 62, 2921 (1975); Na-Ar: M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. Defrees and J.A. Pople, J. Chem. Phys., 77, 3654 (1982).
    • (1982) J. Chem. Phys. , vol.77 , pp. 3654
    • Francl, M.M.1    Pietro, W.J.2    Hehre, W.J.3    Binkley, J.S.4    Gordon, M.S.5    Defrees, D.J.6    Pople, J.A.7
  • 15
    • 36549091139 scopus 로고
    • H, Li-F diffuse: T. Clark, J. Chandrasekhar, G.W. Spitznagel and P.V.R. Schleyer, J. Comput. Chem., 4, 294 (1983); Na-Cl diffuse: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys., 80, 3265 (1984).
    • (1984) J. Chem. Phys. , vol.80 , pp. 3265
    • Frisch, M.J.1    Pople, J.A.2    Binkley, J.S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.