화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Interaction of M3+ lanthanide cations with amide, pyridine, and phosphoryl O = PPh3 ligands: A quantum mechanics study
Berny F, Muzet N, Troxler L, Dedieu A, Wipff G
Inorganic Chemistry, 38(6), 1244, 1999
2 Theoretical studies on the UO22+ and Sr2+ complexation by phosphoryl-containing O=PR3 ligands : QM ab initio calculations in the gas phase and MD FEP calculations in aqueous solution
Hutschka F, Dedieu A, Troxler L, Wipff G
Journal of Physical Chemistry A, 102(21), 3773, 1998
3 Do picrate anions attract each other in solution? Molecular dynamics simulations in water and in acetonitrile solutions
Troxler L, Harrowfield JM, Wipff G
Journal of Physical Chemistry A, 102(34), 6821, 1998
4 Migration of ionophores and salts through a water chloroform liquid liquid interface: Molecular dynamics-potential of mean force investigations
Lauterbach M, Engler E, Muzet N, Troxler L, Wipff G
Journal of Physical Chemistry B, 102(1), 245, 1998
5 Conformation and Dynamics of 18-Crown-6, Cryptand-222, and Their Cation Complexes in Acetonitrile Studied by Molecular-Dynamics Simulations
Troxler L, Wipff G
Journal of the American Chemical Society, 116(4), 1468, 1994