|
|||||
|
|
An empirical force field. II. Crystalline alkanes |
|
| Authors: | Jan L. M. Dillen |
| Abstract: | The EFF'93 force field is used to study crystalline alkanes. In addition to detailed molecular geometries, the sublimation enthalpy, heat capacity, and lattice vibrations for a number of saturated hydrocarbons are reported and compared with experiment. © 1995 by John Wiley & Sons, Inc. |
| Keywords: | |