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Hydrogen and Carbon Vapour Pressure Isotope Effects in Liquid Fluoroform Studied by Density Functional Theory.

H/D and C/C vapour pressure isotope effects (VPIEs) in liquid fluoroform (CHF) were studied at the MPW1PW91/6-31 ++ G(d) level of theory. The CHF monomer and CHF molecules surrounded by other CHF molecules in every direction in CHF clusters were used as model molecules of vapour and liquid CHF. Alth...

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Publicado en:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 72; no. 3; pp. 193 - 201
Autores principales: Takao Oi, Ryota Mitome, Satoshi Yanase
Formato: Artículo
Publicado: De Gruyter Mar2017
Materias:
Vapor pressure
Isotopes
Fluoroform
Cluster analysis (Statistics)
Fluorine isotopes
Acceso en línea:Ver este registro en EBSCOhost