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pro vyhledávání: '"Mohammad M. Ghahremanpour"'
Autor:
Chun-Hui Zhang, Elizabeth A. Stone, Maya Deshmukh, Joseph A. Ippolito, Mohammad M. Ghahremanpour, Julian Tirado-Rives, Krasimir A. Spasov, Shuo Zhang, Yuka Takeo, Shalley N. Kudalkar, Zhuobin Liang, Farren Isaacs, Brett Lindenbach, Scott J. Miller, Karen S. Anderson, William L. Jorgensen
Publikováno v:
ACS Central Science, Vol 7, Iss 3, Pp 467-475 (2021)
Externí odkaz:
https://doaj.org/article/21f39d6febba495a8aac30e488fc3ee5
Publikováno v:
J Phys Chem B
Torsion and Lennard-Jones parameters of the OPLS all-atom force field have been refined for describing thermodynamics and dynamics of a wide range of liquid alkanes. Monte Carlo statistical mechanics (MC) and Molecular Dynamics (MD) simulations were
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8754a0e7f1c89095f6c01d9432f92de
https://doi.org/10.1021/acs.jpcb.2c03686
https://doi.org/10.1021/acs.jpcb.2c03686