共 50 条
- [1] Ab initio molecular dynamics study of formate ion hydrationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (01) : 344 - 351Leung, KRempe, SB
- [2] Hydration of Li+ ion.: An ab initio molecular dynamics simulationJOURNAL OF CHEMICAL PHYSICS, 2001, 114 (07): : 3120 - 3126Lyubartsev, APLaasonen, KLaaksonen, A
- [3] Ab Initio Molecular Dynamics Study of the Aqueous HOO- IonJOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (28): : 7937 - 7945Ma, ZhonghuaAnick, DavidTuckerman, Mark E.
- [4] AN AB INITIO MOLECULAR DYNAMICS STUDY ON THE SOLVATION OF FORMATE ION AND FORMIC ACID IN WATERJOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2012, 11 (05): : 1019 - 1032Chen, QiuboLiu, ZhifengWong, Chee How
- [5] Ab initio molecular dynamics study of aqueous formaldehyde and methanediolMOLECULAR PHYSICS, 2007, 105 (17-18) : 2203 - 2210Mugnai, M.Cardini, G.Schettino, V.Nielsen, C. J.
- [6] Ab initio molecular dynamics study of uracil in aqueous solutionJOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (22): : 7458 - 7467Gaigeot, MPSprik, M
- [7] Aqueous solvation study of melatonin using ab initio molecular dynamicsJOURNAL OF MOLECULAR LIQUIDS, 2021, 343Rodrigues, Allane C. C.Camargo, Lilian T. F. de M.Lopes, Yago FranciscoSallum, Loide O.Napolitano, Hamilton B.Camargo, Ademir J.
- [8] Ab initio molecular dynamics study of carbonic acid in aqueous environmentABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 162 - 162Padmanabhan, Padma KumarKalinichev, Andrey G.Kirkpatrick, R. James
- [9] Erbium(III) in Aqueous Solution: An Ab Initio Molecular Dynamics StudyJOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (48): : 15151 - 15156Canaval, Lorenz R.Sakwarathorn, TheerathadRode, Bernd M.Messner, Christoph B.Lutz, Oliver M. D.Bonn, Guenther K.
- [10] Ab initio molecular dynamics study of ascorbic acid in aqueous solutionMOLECULAR PHYSICS, 2007, 105 (01) : 17 - 23Costanzo, F.Sulpizi, M.Vandevondele, J.Della Valle, R. G.Sprik, M.