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Volumn 108, Issue 19, 1998, Pages 8139-8145

Comparison of three Brownian-dynamics algorithms for calculating rate constants of diffusion-influenced reactions

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BROWNIAN MOVEMENT; CHEMICAL BONDS; CHEMICAL REACTIONS; COMPUTER SIMULATION; DIFFUSION; ENZYMES; MOLECULAR STRUCTURE; PROBABILITY;

EID: 0032074019     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476254     Document Type: Review
Times cited : (22)

References (27)
  • 16
  • 17
    • 0001201890 scopus 로고
    • (b) 11, 115 (1975).
    • (1975) Chem. Phys. , vol.11 , pp. 115
  • 26
    • 85034295903 scopus 로고    scopus 로고
    • note
    • This actually generates a uniform distribution of starting positions in the reactive region. In the presence of a potential, the distribution should depend on the starting position. However, when ∈/a is small, the Coulomb potential considered is virtually uniform inside the reactive region so the equilibrium distribution is essentially the same as a uniform distribution.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.