검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Ab initio QM/MM simulation of Ag+ in 18.6% aqueous ammonia solution: Structure and dynamics investigations Armunanto R, Schwenk CF, Rode BM Journal of Physical Chemistry A, 109(20), 4437, 2005 |
| 2 |
Ag(I) ion in liquid ammonia Armunanto R, Schwenk CF, Randolf BR, Rode BM Chemical Physics Letters, 388(4-6), 395, 2004 |
| 3 |
"Structure breaking" effect of hydrated Cs+ Schwenk CF, Hofer TS, Rode BM Journal of Physical Chemistry A, 108(9), 1509, 2004 |
| 4 |
Structure and dynamics of Au+ ion in aqueous solution: Ab initio QM/MM MD simulations Armunanto R, Schwenk CF, Tran HT, Rode BM Journal of the American Chemical Society, 126(8), 2582, 2004 |
| 5 |
Gold(I) in liquid ammonia: Ab initio QM/MM molecular dynamics simulation Armunanto R, Schwenk CF, Rode BM Journal of the American Chemical Society, 126(32), 9934, 2004 |
| 6 |
Influence of electron correlation effects on the solvation of Cu2+ Schwenk CF, Rode BM Journal of the American Chemical Society, 126(40), 12786, 2004 |
| 7 |
Ultrafast ligand exchange rates determined by ab initio QM/MM molecular dynamics Schwenk CF, Loferer MJ, Rode BM Chemical Physics Letters, 382(3-4), 460, 2003 |
| 8 |
Extended ab initio quantum mechanical/molecular mechanical molecular dynamics simulations of hydrated Cu2+ Schwenk CF, Rode BM Journal of Chemical Physics, 119(18), 9523, 2003 |
| 9 |
Structure and dynamics of hydrated Ag (I): Ab initio quantum mechanical-molecular mechanical molecular dynamics simulation Armunanto R, Schwenk CF, Rode BM Journal of Physical Chemistry A, 107(17), 3132, 2003 |
| 10 |
Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn2+ and V2+ Schwenk CF, Loeffler HH, Rode BM Journal of the American Chemical Society, 125(6), 1618, 2003 |