tSPICA: Temperature- and Pressure-Dependent Coarse-Grained Force Field for Organic Molecules. [electronic resource]
- Journal of chemical information and modeling 09 2019
- 3829-3838 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1549-960X
10.1021/acs.jcim.9b00480 doi
Alkanes--chemistry Models, Molecular Molecular Conformation Pressure Temperature