화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals
Asmadi A, Neumann MA, Kendrick J, Girard P, Perrin MA, Leusen FJJ
Journal of Physical Chemistry B, 113(51), 16303, 2009
2 Energy ranking of molecular crystals using density functional theory calculations and an empirical van der Waals correction
Neumann MA, Perrin MA
Journal of Physical Chemistry B, 109(32), 15531, 2005
3 Docetaxel (Taxotere (R) Trihydrate) forms: Crystal structure determination from XRPD & XRSCD data
Zaske L, Perrin MA, Daiguebonne C, Guillou O
Materials Science Forum, 443-4, 411, 2004
4 Ab initio crystal structure determination of three pharmaceutical compounds from X-ray powder diffraction data
Giovannini J, Perrin MA, Louer D, Leveiller F
Materials Science Forum, 378-3, 582, 2001
5 Computer Modeling of the Active-Site Configurations Within the No Decomposition Catalyst Cu-ZSM-5
Sayle DC, Catlow CR, Gale JD, Perrin MA, Nortier P
Journal of Physical Chemistry A, 101(18), 3331, 1997
6 Sorption of Ethene and Ethane on the V2O5(001)/TiO2(001) Anatase Interface
Sayle DC, Catlow CR, Perrin MA, Nortier P
Catalysis Letters, 38(3-4), 203, 1996
7 Computer Modeling of the V2O5/TiO2 Interface
Sayle DC, Catlow CR, Perrin MA, Nortier P
Journal of Physical Chemistry, 100(21), 8940, 1996
8 Support effect in V2O5/TiO2 partial oxidation catalysts
Sayle DC, George AR, Catlow CRA, Perrin MA, Nortier P
Revue de l Institut Francais du Petrole, 51(1), 43, 1996