화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH3 center dot + CH4 Reactions
Klopper W, Bachorz RA, Tew DP, Aguilera-Iparraguirre J, Carissan Y, Hattig C
Journal of Physical Chemistry A, 113(43), 11679, 2009
2 Huckel-Lewis Projection Method: A "Weights Watcher" for Mesomeric Structures
Carissan Y, Hagebaum-Reignier D, Goudard N, Humbel S
Journal of Physical Chemistry A, 112(50), 13256, 2008
3 Calculation of the ground and excited states of a mixed valence compound [Fe-2(OH)(3)(NH3)(6)](2+) : A class II or class III compound?
Carissan Y, Heully JL, Alary F, Daudey JP
Inorganic Chemistry, 43(4), 1411, 2004
4 A study of the correlation effects upon the modelization of the double exchange phenomenon
Carissan Y, Heully JL, Guihery N, Alary F
Journal of Chemical Physics, 121(19), 9453, 2004