References
- Flory , P. J. 1969 . Statistical Mechanics of Chain Molecules , New York : Wiley-Interscience .
- Jorgensen , W. L. 1981 . Internal rotation in liquid 1,2-dichloroethane and n-butane . J. Am. Chem. Soc. , 103 : 677 “Pressure dependence of the structure and properties of liquid n-butane”, J. Am. Chem. Soc. 103, 4721 (1981)
- Chandler , D. and Pratt , L. R. 1976 . Statistical mechanics of chemical equilibria and intramolecular structures of nonrigid molecules in condensed phases . J. Chem. Phys. , 65 : 2925 L.R. Pratt and D. Chandler, “Theory of the hydrophobic effect”, J. Chem. Phys. 67, 3683 (1977)
- Pratt , L. R. , Hsu , C. S. and Chandler , D. 1978 . Statistical mechanics of small chain molecules in liquids. I. Effects of liquid packing on conformational structures . J. Chem. Phys. , 68 : 4202 C. S. Hsu, L. R. Pratt and D. Chandler, “Statistical mechanics of small chain molecules in liquids. II. Intermolecular pair correlations for n-butane”, J. Chem. Phys. 68, 4213 (1978)
- Edberg , R. , Evans , D. J. and Morris , G. P. 1986 . Constrained Molecular Dynamics: Simulations of liquid alkanes with a new algorithm . J. Chem. Phys. , 84 : 6933 “Conformational kinetics in liquid butane by nonequilibrium Molecular Dynamics”, J. Chem. Phys. 87, 5700 (1987)
- Wielopolski , P. A. and Smith , E. R. 1986 . Dihedral angle distribution in liquid n-butane: Molecular Dynamics simulations . J. Chem. Phys. , 84 : 6940
- Enciso , E. , Alonso , J. , Almarza , N. G. and Bermejo , F. J. 1989 . Statistical mechanics of small chain molecular liquids. I. Conformational properties of modeled n-butane . J. Chem. Phys. , 90 : 413 “Statistical mechanics of small chain molecular liquids. II. Structure and thermodynamic properties of modeled n-butane liquid”, J. Chem. Phys. 90, 422 (1989)
- Brown , D. and Clarke , J. H. R. 1990 . A direct method of studying reaction rates by equilibrium Molecular Dynamics: Application to the kinetics of isomerization in liquid n-butane . J. Chem. Phys. , 92 : 3062
- Rychaert , J. P. and Bellemans , A. 1978 . Molecular Dynamics and liquid alkanes . Discuss. Faraday Soc. , 66 : 95
- Scott , R. A. and Scheraga , H. A. 1966 . Conformation analysis of macromolecules. II. The rotational isomeric states of the normal hydrocarbons . J. Chem. Phys. , 44 : 3054
- Woller , P. B. and Garbisch , E. W. Jr. 1972 . The conformational analysis of n-butane . J. Am. Chem. Soc. , 94 : 5310
- Ohmine , I. , Tanaka , H. and Wolynes , P. G. 1988 . Large local energy fluctuations in water. II. Cooperative motions and fluctuations . J. Chem. Phys. , 89 : 5852
- Allen , M. P. and Tildesley , D. J. 1987 . Computer simulation of liquids , New York : Oxford University Press .
- Ryckaert , J. P. , Ciccotti , G. and Berendsen , H. J. C. 1977 . Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular Dynamics of n-alkanes . J. Comput. Phys. , 23 : 327
- Weeks , J. D. , Chandler , D. and Andersen , H. C. 1971 . Role of repulsive force in determining the equilibrium structure of simple liquids . J. Chem. Phys. , 54 : 5237
- Almarza , N. G. Enciso , E. 1990 . Monte Carlo simulations of liquid n-butane . Mol. Phys. , 70 : 485