Chemistry Reference
In-Depth Information
171. Heuft JM, Meijer EJ (2005) J Chem Phys 122:094501
172. Heuft JM, Meijer EJ (2005) J Chem Phys 123:094506
173. Marx D, Sprik M, Parrinello M (1997) Chem Phys Lett 273:360-366
174. Ramaniah LM, Bernasconi M, Parrinello M (1999) J Chem Phys 111:1587-1591
175. Lyubartsev AP, Laasonen K, Laaksonen A (2001) J Chem Phys 114:3120-3126
176. Lightstone FC, Schwegler E, Hood RQ, Gygi F, Galli G (2001) Chem Phys Lett
343:549-555
177. Bak´ I, Hutter J, P´link´s G (2002) J Chem Phys 117:9838-9843
178. Lightstone FC, Schwegler E, Allesch M, Gygi F, Galli G (2005) Chem Phys Chem
6:1745-1749
179. Ikeda T, Hirata M, Kimura T (2005) J Chem Phys 122:024510
180. Amira S, Sp
˚
ngberg D, Hermansson K (2006) J Chem Phys 124:104501
181. Sa R, Zhu W, Shen J, Gong Z, Cheng J, Chen K, Jiang H (2006) J Phys Chem B
110:5094-5098
182. Moret M-E, Tavernelli I, Chergui M, Rothlisberger U (2010) Chem Eur J 16:5889-5894
183. Todorova T, Hunenberger PH, Hutter J (2008) J Chem Theory Comput 4:779-789
184. Mallik BS, Siepmann JI (2010) J Phys Chem B 114:12577-12584
185. Spickermann C, Thar J, Lehmann SBC, Zahn S, Hunger J, Buchner R, Hunt PA, Welton T,
Kirchner B (2008) J Chem Phys 129:104505
186. Raugei S, Cardini G, Schettino V (1999) J Chem Phys 111:10887-10894
187. Raugei S, Cardini G, Schettino V (2001) J Chem Phys 114:4089-4098
188. Pagliai M, Raugei S, Cardini G, Schettino V (2001) Phys Chem Chem Phys 3:4870-4873
189. Pagliai M, Raugei S, Cardini G, Schettino V (2003) J Mol Struct (Theochem) 630:141-149
190. Mugnai M, Cardini G, Schettino V (2003) J Chem Phys 118:2767-2774
191. Ammal SC, Yamataka H, Aida M, Dupuis M (2003) Science 299:1555-1557
192. Yang S-Y, Fleurat-Lessard P, Hristov I, Ziegler T (2004) J Phys Chem A 108:9461-9468
193. Reiher M, Kirchner B, Hutter J, Sellmann D, Hess BA (2004) Chem Eur J 10:4443-4453
194. Kirchner B, Reiher M, Hille A, Hutter J, Hess BA (2005) Chem Eur J 11:574-583
195. Schenk S, Kirchner B, Reiher M (2009) Chem Eur J 15:5073-5082
196. Urakawa A, Iannuzzi M, Hutter J, Baiker A (2007) Chem Eur J 13:6828-6840
197. Michel C, Laio A, Mohammad F, Krack M, Parrinello M, Milet A (2007) Organometallics
26:1241-1249
198. Michel C, Milet A (2008) J Mol Struct (Theochem) 852:54-61
199. Izvekov S, Mazzolo A, VanOpdorp K, Voth GA (2001) J Chem Phys 114:3248-3257
200. Izvekov S, Voth GA (2001) J Chem Phys 115:7196-7206
201. Sugino O, Hamada I, Otani M, Morikawa Y, Ikeshoji T, Okamoto Y (2007) Surf Sci
601:5237-5240
202. Otani M, Hamada I, Sugino O, Morikawa Y, Okamoto Y, Ikeshoji T (2008) Phys Chem
Chem Phys 10:3609-3612
203. Blumberger J, Tateyama Y, Sprik M (2005) Comput Phys Commun 169:256-261
204. VandeVondele J, Ayala R, Sulpizi M, Sprik M (2007) J Electroanal Chem 607:113-120
205. VandeVondele J, Sulpizi M, Sprik M (2007) Chimia 61:155-158
206. Lynden-Bell R (2007) Electrochem Commun 9:1857-1861
207. Moens J, Seidel R, Geerlings P, Faubel M, Winter B, Blumberger J (2010) J Phys Chem B
114:9173-9182
208. Tateyama Y, Blumberger J, Sprik M, Tavernelli I (2005) J Chem Phys 122:234505
209. Blumberger J, Bernasconi L, Tavernelli I, Vuilleumier R, Sprik M (2004) J Am Chem Soc
126:3928-3938
210. Blumberger J, Sprik M (2004) J Phys Chem B 180:6529-6535
211. Blumberger J (2008) J Am Chem Soc 130:16065-16068
212. Blumberger J, Sprik M (2005) J Phys Chem B 109:6793-6804
213. Blumberger J, Sprik M (2006) Theor Chem Acc 115:113-126
214. Seidel R, Faubel M, Winter B, Blumberger J (2009) J Am Chem Soc 131:16127-16137
Search WWH ::
Custom Search