검색결과 : 23건
| No. | Article |
|---|---|
| 1 |
The K-shell spectra of tetrahydrofuran studied by electron energy loss spectroscopy and ab initio calculations Duflot D, Flament JP, Heinesch J, Hubin-Franskin MJ Chemical Physics Letters, 495(1-3), 27, 2010 |
| 2 |
Quantum Chemical and Molecular Dynamics Study of the Coordination of Th(IV) in Aqueous Solvent Real F, Trumm M, Vallet V, Schimmelpfennig B, Masella M, Flament JP Journal of Physical Chemistry B, 114(48), 15913, 2010 |
| 3 |
An ab Initio Theoretical Study of the Electronic Structure of UO2+ and [UO2(CO3)(3)](5-) Ruiperez F, Danilo C, Real F, Flament JP, Vallet V, Wahlgren U Journal of Physical Chemistry A, 113(8), 1420, 2009 |
| 4 |
Multiconfiguration Dirac-Hartree-Fock Adjusted Energy-Consistent Pseudopotential for Uranium: Spin-Orbit Configuration Interaction and Fock-Space Coupled-Cluster Study of U4+ and U5+ Weigand A, Cao XY, Vallet V, Flament JP, Dolg M Journal of Physical Chemistry A, 113(43), 11509, 2009 |
| 5 |
Vibrational Modeling of Copper-Histamine Complexes: Metal-Ligand IR Modes Investigation Xerri B, Flament JP, Petitjean H, Berthomieu C, Berthomieu D Journal of Physical Chemistry B, 113(45), 15119, 2009 |
| 6 |
Electronic basis of the comparable hydrogen bond properties of small H2CO/(H2O)(n) and H2NO/(H2O)n systems (n=1, 2) Houriez C, Ferre N, Flament JP, Masella M, Siri D Journal of Physical Chemistry A, 111(45), 11673, 2007 |
| 7 |
Core shell excitation of 2-propenal (acrolein) at the O 1s and C 1s edges: An experimental and ab initio study Duflot D, Flament JP, Walker IC, Heinesch J, Hubin-Franskin MJ Journal of Chemical Physics, 118(3), 1137, 2003 |
| 8 |
Ab initio transition state theory calculation of the rate constant for the hydrogen abstraction reaction H2O2+H -> H-2+HO2 Tarchouna Y, Bahri M, Jaidane N, Ben Lakhdar Z, Flament JP Journal of Chemical Physics, 118(3), 1189, 2003 |
| 9 |
Core shell excitation of furan at the O1s and C1s edges: An experimental and ab initio study Duflot D, Flament JP, Giuliani A, Heinesch J, Hubin-Franskin MJ Journal of Chemical Physics, 119(17), 8946, 2003 |
| 10 |
A two-step uncontracted determinantal effective Hamiltonian-based SO-CI method Vallet V, Maron L, Teichteil C, Flament JP Journal of Chemical Physics, 113(4), 1391, 2000 |