화학공학소재연구정보센터
검색결과 : 38건
No. Article
1 Quantum chemical study of the photocoloration reaction in the napthoxazine series
Maurel F, Aubard J, Millie P, Dognon JP, Rajzmann M, Guglielmetti R, Samat A
Journal of Physical Chemistry A, 110(14), 4759, 2006
2 Exciton states of dynamic DNA double helices: Alternating dCdG sequences
Emanuele E, Zakrzewska K, Markovitsi D, Lavery R, Millie P
Journal of Physical Chemistry B, 109(33), 16109, 2005
3 Investigating bonding in small silicon-carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics
Bertolus M, Finocchi F, Millie P
Journal of Chemical Physics, 120(9), 4333, 2004
4 Investigating bonding in small silicon-carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics (vol 120, pg 4333, 2004)
Bertolus M, Finocchi F, Millie P
Journal of Chemical Physics, 120(22), 10853, 2004
5 Investigation of the photoionization mechanism of small aromatic homoclusters
Bouvier B, Millie P, Mons M
Journal of Physical Chemistry A, 108(19), 4254, 2004
6 Theoretical investigation of small alkali cation-molecule: A model potential approach
Cezard C, Bouvier B, Brenner V, Defranceschi M, Millie P, Soudan JM, Dognon JP
Journal of Physical Chemistry B, 108(4), 1497, 2004
7 Modeling of uranyl cation-water clusters
Clavaguera-Sarrio C, Brenner V, Hoyau S, Marsden CJ, Millie P, Dognon JP
Journal of Physical Chemistry B, 107(13), 3051, 2003
8 Influence of conformational dynamics on the exciton states of DNA oligomers
Bouvier B, Dognon JP, Lavery R, Markovitsi D, Millie P, Onidas D, Zakrzewska K
Journal of Physical Chemistry B, 107(48), 13512, 2003
9 Dimerization of xanthene dyes in water: Experimental studies and molecular dynamic simulations
Dare-Doyen S, Doizi D, Guilbaud P, Djedaini-Pilard F, Perly B, Millie P
Journal of Physical Chemistry B, 107(50), 13803, 2003
10 Accurate core electron binding energy calculations using small 6-31G and TZV core hole optimized basis sets
Carniato S, Millie P
Journal of Chemical Physics, 116(9), 3521, 2002