| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7837830 | Chemical Physics Letters | 2018 | 30 Pages |
Abstract
Empirical temperature dependent force field (TDFF) is presented, which allows to predict effects of temperature on crystals structures. The superimposed structures of Aspirin I at 20â¯K and at 300â¯K demonstrate the accuracy of the developed approach.104
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
D.W.M. Hofmann, L.N. Kuleshova,