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Volumn 113, Issue 17, 2000, Pages 7084-7096

Time-dependent density-functional determination of arbitrary singlet and triplet excited-state potential energy surfaces: Application to the water molecule

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; EQUATIONS OF MOTION; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SURFACE CHEMISTRY; WATER;

EID: 0034319445     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1312826     Document Type: Article
Times cited : (69)

References (101)
  • 59
    • 0004290550 scopus 로고    scopus 로고
    • Quantum Chemistry Group, University of Karlsruhe, Version 4
    • R. Ahlrichs et al., TURBOMOLE (Quantum Chemistry Group, University of Karlsruhe, 1997) Version 4.
    • (1997) TURBOMOLE
    • Ahlrichs, R.1
  • 60
    • 14344273296 scopus 로고    scopus 로고
    • Gaussian, Pittsburgh, PA
    • M. J. Frisch et al., OAUSSIAN 98 (Gaussian, Pittsburgh, PA, 1998).
    • (1998) OAUSSIAN 98
    • Frisch, M.J.1
  • 67
    • 0004245508 scopus 로고    scopus 로고
    • University of Birmingham, Birmingham, UK
    • H.-J. Werner et al., MOLPRO-97 (University of Birmingham, Birmingham, UK, 1997).
    • (1997) MOLPRO-97
    • Werner, H.-J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.