검색결과 : 19건
No. | Article |
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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 |