검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective Seabra GD, Walker RC, Roitberg AE Journal of Physical Chemistry A, 113(43), 11938, 2009 |
| 2 |
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package Seabra GD, Walker RC, Elstner M, Case DA, Roitberg AE Journal of Physical Chemistry A, 111(26), 5655, 2007 |