| 1 |
Neutral atoms and ion energies, accurate ionization potential, and electron affinities by polynomial generator coordinate Hartree-Fock method
Ratuchne F, Celeste R
Turkish Journal of Chemistry, 42(6), 1678, 2018 |
| 2 |
Structural distortions in mer-M(H)(3)(NO)L-2 (M = Ru, Os) and their influence on intramolecular fluxionality and quantum exchange coupling
Yandulov DV, Huang DJ, Huffman JC, Caulton KG
Inorganic Chemistry, 39(9), 1919, 2000 |
| 3 |
To bend or not to bend : Dilemma of the edge-sharing binuclear square planar complexes of d(8) transition metal ions
Aullon G, Ujaque G, Lledos A, Alvarez S, Alemany P
Inorganic Chemistry, 37(4), 804, 1998 |
| 4 |
Influence of ancillary ligands on the kinetics and the thermodynamics of H-2 addition to IrXH2(PR3)(2) (X = Cl, Br, I and R = H, Me) : Comparison between density functional theory and perturbation theory
Clot E, Eisenstein O
Journal of Physical Chemistry A, 102(20), 3592, 1998 |
| 5 |
Inertness of the aryl-F bond toward oxidative addition to osmium and rhodium complexes: Thermodynamic or kinetic origin?
Bosque R, Clot E, Fantacci S, Maseras F, Eisenstein O, Perutz RN, Renkema KB, Caulton KG
Journal of the American Chemical Society, 120(48), 12634, 1998 |
| 6 |
Intermolecular Interactions in Strongly Polar Crystals with Layer Structures
Stone AJ, Tsuzuki S
Journal of Physical Chemistry B, 101(49), 10178, 1997 |
| 7 |
Theoretical Evaluation of Steric Effects in (Reh5(Pr(3))(2)(Sir(3))(2)) Complexes with the Imomm Method
Barea G, Maseras F, Jean Y, Lledos A
Inorganic Chemistry, 35(22), 6401, 1996 |
| 8 |
Molecular-Orbital Study of the Reaction-Mechanism of Sc+ with Methane - Comparison of the Reactivity of Early and Late First-Row Transition-Metal Cations and Their Carbene Complexes
Musaev DG, Morokuma K
Journal of Physical Chemistry, 100(28), 11600, 1996 |
| 9 |
Ab-Initio Study of the Effect of Fluorination upon the Structure and Configurational Stability of Alpha-Sulfonyl Carbanions - The Role of Negative Hyperconjugation
Raabe G, Gais HJ, Fleischhauer J
Journal of the American Chemical Society, 118(19), 4622, 1996 |
| 10 |
Methane Elimination from Ionized Propane Through an Ion-Neutral Complex - An Ab-Initio Study
Olivella S, Sole A, Mcadoo DJ
Journal of the American Chemical Society, 118(39), 9368, 1996 |
