메뉴 건너뛰기




Volumn 111, Issue 16, 1999, Pages 7519-7525

On the effect of Lennard-Jones parameters on the quantum mechanical and molecular mechanical coupling in a hybrid molecular dynamics simulation of liquid water

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000440811     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480078     Document Type: Article
Times cited : (52)

References (49)
  • 10
    • 0003508385 scopus 로고    scopus 로고
    • Molecular Dynamics: From Classical to Quantum Methods. Incorporating Quantum Mechanical Calculations into Molecular Dynamics Simulations
    • Elsevier Science, Amsterdam
    • A. Laaksonen and Y. Tu, Molecular Dynamics: From Classical to Quantum Methods. Incorporating Quantum Mechanical Calculations into Molecular Dynamics Simulations, Theoretical Chemistry Series (Elsevier Science, Amsterdam, 1999).
    • (1999) Theoretical Chemistry Series
    • Laaksonen, A.1    Tu, Y.2
  • 12
    • 84962367344 scopus 로고
    • Methods and applications of combined quantum mechanical and molecular mechanical potentials
    • VCH, New York, Chap. 3
    • J. Gao, "Methods and applications of combined quantum mechanical and molecular mechanical potentials," in Reviews in Computational Chemistry, Vol. 7 (VCH, New York, 1995), Chap. 3, pp. 119-185.
    • (1995) Reviews in Computational Chemistry , vol.7 , pp. 119-185
    • Gao, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.