화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes
Marjolin A, Gourlaouen C, Clavaguera C, Dognon JP, Piquemal JP
Chemical Physics Letters, 563, 25, 2013
2 Revisiting the Chemistry of the Actinocenes [(eta(8)-C8H8)(2)An] (An = U, Th) with Neutral Lewis Bases. Access to the Bent Sandwich Complexes [(eta(8)-C8H8)(2)An(L)] with Thorium (L = py, 4,4'-bipy, tBuNC, R(4)phen)
Berthet JC, Thuery P, Garin N, Dognon JP, Cantat T, Ephritikhine M
Journal of the American Chemical Society, 135(27), 10003, 2013
3 Electronic Spectrum of Tryptophan-Phenylalanine. A Correlated Ab Initio and Time-Dependent Density Functional Theory Study
Clavaguera C, Piuzzi F, Dognon JP
Journal of Physical Chemistry B, 113(51), 16443, 2009
4 A Predicted Organometallic Series Following a 32-Electron Principle: An@C-28 (An = Th, Pa+, U2+, Pu4+)
Dognon JP, Clavaguera C, Pyykko P
Journal of the American Chemical Society, 131(1), 238, 2009
5 Sterically congested uranyl complexes with seven-coordination of the UO2 unit: the peculiar ligation mode of nitrate in [UO2(NO3)(2)(Rbtp)] complexes
Berthet JC, Thuery P, Dognon JP, Guillaneux D, Ephritikhine M
Inorganic Chemistry, 47(15), 6850, 2008
6 Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization
Clavaguera C, Dognon JP, Pyykko P
Chemical Physics Letters, 429(1-3), 8, 2006
7 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
8 Gd(III) polyaminocarboxylate chelate: Realistic many-body molecular dynamics simulations for molecular imaging applications
Clavaguera C, Sansot E, Calvo F, Dognon JP
Journal of Physical Chemistry B, 110(26), 12848, 2006
9 Molecular dynamics study of the hydration of lanthanum(III) and europium(III) including many-body effects
Clavaguera C, Pollet R, Soudan JM, Brenner V, Dognon JP
Journal of Physical Chemistry B, 109(16), 7614, 2005
10 Intrinsic folding of small peptide chains: Spectroscopic evidence for the formation of beta-turns in the gas phase
Chin W, Dognon JP, Piuzzi F, Tardivel B, Dimicoli I, Mons M
Journal of the American Chemical Society, 127(2), 707, 2005