검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations Foucaud Y, Laine J, Filippov LO, Barres O, Kim WJ, Filippova IV, Pastore M, Lebegue S, Badawi M Journal of Colloid and Interface Science, 583, 692, 2021 |
| 2 |
Impact of the fac/mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes Magra K, Domenichini E, Frances-Monerris A, Cebrian C, Beley M, Darari M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC Inorganic Chemistry, 58(8), 5069, 2019 |
| 3 |
Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac/mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces Frances-Monerris A, Magra K, Darari M, Cebrian C, Beley M, Domenichini E, Haacke S, Pastore M, Assfeld X, Gros PC, Monari A Inorganic Chemistry, 57(16), 10431, 2018 |
| 4 |
A Dynamics Investigation of the C + CH+ -> C-2(+) + H Reaction on an ab Initio Bond-Order-Like Potential Pacifici L, Pastore M, Garcia E, Lagana A, Rampino S Journal of Physical Chemistry A, 120(27), 5125, 2016 |
| 5 |
First-Principles Modeling of a Dye-Sensitized TiO2/IrO2 Photoanode for Water Oxidation Pastore M, De Angelis F Journal of the American Chemical Society, 137(17), 5798, 2015 |
| 6 |
SO2 Mitigation in a Bituminous-fired Boiler Pastore M Power Engineering, 115(11), 34, 2011 |
| 7 |
Mixed Valence Character of Anionic Linear Beryllium Chains: A CAS-SCF and MR-CI Study Pastore M, Monari A, Evangelisti S, Leininger T Journal of Physical Chemistry A, 113(52), 14706, 2009 |
| 8 |
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study Pastore M, Angeli C, Cimiraglia R Chemical Physics Letters, 422(4-6), 522, 2006 |
| 9 |
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan Pastore M, Angeli C, Cimiraglia R Chemical Physics Letters, 426(4-6), 445, 2006 |