Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities
Published in JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Recommended citation: Black, Jana E. Silva, Goncalo M. C. Klein, Christoph Iacovella, Christopher R. Morgado, Pedro Martins, Luis F. G. Filipe, Eduardo J. M. McCabe, Clare (2017). "Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities ." JOURNAL OF PHYSICAL CHEMISTRY B. 121 (27).
Black, Jana E. Silva, Goncalo M. C. Klein, Christoph Iacovella, Christopher R. Morgado, Pedro Martins, Luis F. G. Filipe, Eduardo J. M. McCabe, Clare (2017). “Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities .” JOURNAL OF PHYSICAL CHEMISTRY B. 121 (27), pp 6588-6600 .
Funding source: National Science Foundation (NSF) [ACI-1047828, ACI-1535150]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Education for Graduate Assistance in Areas of National Need (GAANN) Fellowship [P200A090323]; Fundacao para a Ciencia e a Tecnologia [UID/QUI/0100/2013, SFRH/BPD/81748/2011, PEst-OE/QUI/UI0619/2011]; Fundação para a Ciência e a Tecnologia [PEst-OE/QUI/UI0619/2011, SFRH/BPD/81748/2011] Funding Source: FCT; Direct For Computer \& Info Scie \& Enginr; Office of Advanced Cyberinfrastructure (OAC) [1047828, 1535150] Funding Source: National Science Foundation