검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble Scivetti I, Sen K, Elena AM, Todorov I Journal of Physical Chemistry A, 124(37), 7585, 2020 |
| 2 |
Equilibrium and Rate Constants, and Reaction Mechanism of the HF Dissociation in the HF(H2O)(7) Cluster by ab Initio Rare Event Simulations Elena AM, Meloni S, Ciccotti G Journal of Physical Chemistry A, 117(49), 13039, 2013 |
| 3 |
Ring currents in azulene Paxton AT, Todorov TN, Elena AM Chemical Physics Letters, 483(1-3), 154, 2009 |