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Volumn 111, Issue 5, 2007, Pages 954-962

The lowest singlet (n,π*) and (π,π*) excited states of the hydrogen-bonded complex between water and pyrazine

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); ELECTRIC EXCITATION; EQUATIONS OF MOTION; HYDROGEN BONDS; POLYCYCLIC AROMATIC HYDROCARBONS; PROBABILITY DENSITY FUNCTION; WATER;

EID: 33847045184     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0658142     Document Type: Article
Times cited : (21)

References (97)
  • 47
    • 0347734544 scopus 로고
    • Sinanoglu, O, Ed, Academic Press: New York
    • Liptay, W. In Modern quantum chemistry; Sinanoglu, O., Ed.; Academic Press: New York, 1965; Vol. III, p 45.
    • (1965) Modern quantum chemistry , vol.3 , pp. 45
    • Liptay, W.1
  • 55
    • 14844366914 scopus 로고    scopus 로고
    • IBM Corp. and MPI fuer Festkoerprtforschung: Stuttgart
    • CPMD (Car-Parrinello Molecular Dynamics); IBM Corp. and MPI fuer Festkoerprtforschung: Stuttgart, 1997-2001.
    • (1997) CPMD (Car-Parrinello Molecular Dynamics)
  • 74
    • 33847082430 scopus 로고    scopus 로고
    • Ahlrichs, R, Bär, M, Baron, H, P, et al. TURBOMOLE, Version 5.2; Quantum Chemistry Group, The University of Karlsure: Karlsruhe, 2002
    • Ahlrichs, R.; Bär, M.; Baron, H. -P.; et al. TURBOMOLE, Version 5.2; Quantum Chemistry Group, The University of Karlsure: Karlsruhe, 2002.
  • 75
    • 0004040381 scopus 로고    scopus 로고
    • Quantum Theory Project, The University of Florida: Gainsville
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; et al. ACES II; Quantum Theory Project, The University of Florida: Gainsville, 1999.
    • (1999) ACES II
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.