화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Quantum chemistry insight into Mg-substitution in chlorophyll by toxic heavy metals: Cd, Hg and Pb
Bechaieb R, Ben Akacha A, Gerard H
Chemical Physics Letters, 663, 27, 2016
2 Competitive ligand/chelate binding in [Cu(TMPA)](+) and [Cu(tren)](+) based complexes
Bonniard L, de la Lande A, Ulmer S, Piquemal JP, Parisel O, Gerard H
Catalysis Today, 177(1), 79, 2011
3 Ph2P(BH3)Li: From Ditopicity to Dual Reactivity
Consiglio GB, Queval P, Harrison-Marchand A, Mordini A, Lohier JF, Delacroix O, Gaumont AC, Gerard H, Maddaluno J, Oulyadi H
Journal of the American Chemical Society, 133(16), 6472, 2011
4 Diastereodivergent Behavior of Alkyl versus Cyano Allenylcuprates toward Aldehydes: A Key Role for Lithium
Vrancken E, Gerard H, Linder D, Ouizem S, Aouane N, Roubineau E, Bentayeb K, Marrot J, Mangeney P
Journal of the American Chemical Society, 133(28), 10790, 2011
5 Dioxygen Activation by Mononuclear Copper Enzymes: Insights from a Tripodal Ligand Mimicking Their Cu-M Coordination Sphere
de la Lande A, Salahub D, Moliner V, Gerard H, Piquemal JP, Parisel O
Inorganic Chemistry, 48(15), 7003, 2009
6 Theoretical study of the relative stabilities of the alpha/beta(3)-[XW11O39](m-) lacunary polyoxometalates (X = P, Si)
Laurencin D, Proust A, Gerard H
Inorganic Chemistry, 47(17), 7888, 2008
7 Revisiting the structure of (LiCH3)(n) aggregates using Car-Parrinello molecular dynamics
Gerard H, de la Lande A, Maddaluno J, Parisel O, Tuckerman ME
Journal of Physical Chemistry A, 110(14), 4787, 2006
8 Experimental and theoretical study of the regiospecific coordination of Ru-II and Os-II fragments on the lacunary polyoxometalate [alpha-PW11O39](7-)
Laurencin D, Villanneau R, Gerard H, Proust A
Journal of Physical Chemistry A, 110(19), 6345, 2006
9 Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway
Mantz YA, Gerard H, Iftimie R, Martyna GJ
Journal of Physical Chemistry B, 110(27), 13523, 2006
10 Physical study of the avalanche breakdown phenomenon in HEMTs
Elkhou M, Rousseau M, Gerard H, De Jaeger JC
Solid-State Electronics, 49(4), 535, 2005