검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
Fragment molecular orbital method with density functional theory and DIIS convergence acceleration Sugiki SI, Kurita N, Sengoku Y, Sekino H Chemical Physics Letters, 382(5-6), 611, 2003 |
| 2 |
Fragment molecular orbital method: analytical energy gradients Kitaura K, Sugiki SI, Nakano T, Komeiji Y, Uebayasi M Chemical Physics Letters, 336(1-2), 163, 2001 |