Self‐diffusion in n‐alkane fluid models
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[1] Søren Toxvaerd,et al. Molecular dynamics calculation of the equation of state of alkanes , 1990 .
[2] A. Narten,et al. X‐ray diffraction study of some liquid alkanes , 1990 .
[3] Michael L. Klein,et al. Disorder in the pseudohexagonal rotator phase of n-alkanes: molecular-dynamics calculations for tricosane , 1989 .
[4] Søren Toxvaerd,et al. Molecular dynamics of liquid butane , 1988 .
[5] A. Akgerman,et al. Hard‐sphere theory for correlation of tracer diffusion of gases and liquids in alkanes , 1987 .
[6] G. Pawley,et al. Molecular dynamics studies of the condensed phases of n-butane and their transitions. I: Techniques and model results , 1987 .
[7] Gary P. Morriss,et al. Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithm , 1986 .
[8] Hoover,et al. Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.
[9] William L. Jorgensen,et al. Optimized intermolecular potential functions for liquid hydrocarbons , 1984 .
[10] Krishnan Raghavachari,et al. Rotational potential surface for alkanes: Basis set and electron correlation effects on the conformations of n‐butane , 1984 .
[11] R. Heenan,et al. Electron diffraction studies of supersonic jets. IV. Conformational cooling of n‐butane , 1983 .
[12] R. G. Snyder,et al. Raman spectra of liquid n‐alkanes. II. Longitudinal acoustic modes and the gauche–trans energy difference , 1980 .
[13] Thomas A. Weber,et al. Relaxation of a n‐octane fluid , 1979 .
[14] Thomas A. Weber,et al. Simulation of n‐butane using a skeletal alkane model , 1978 .
[15] L. Bartell,et al. Vapor-phase structure and conformation of a long-chain n-alkane. An electron diffraction study , 1976 .
[16] G. Houghton. Cubic Cell Model for Self‐Diffusion in Liquids , 1964 .
[17] J. Durig,et al. Far infrared spectrum and conformational potential function of n-butane , 1986 .
[18] R. G. Snyder,et al. Experimental determination of the trans–gauche energy difference of gaseous n‐pentane and diethyl ether , 1986 .
[19] D. Steele,et al. An ab initio investigation of the torsional potential function of n-butane , 1985 .
[20] K. R. Harris. Temperature and density dependence of the self-diffusion coefficient of n-hexane from 223 to 333 K and up to 400 MPa , 1982 .
[21] Jean-Paul Ryckaert,et al. Molecular dynamics of liquid n-butane near its boiling point , 1975 .