검색결과 : 42건
| No. | Article |
|---|---|
| 1 |
Dimethyl Carbonate Synthesis from CO2 and Dimethoxytin(IV) Complexes: The Anatomy of the Alkylation Step Viewed from DFT Modeling Kalhor MP, Chermette H, Ballivet-Tkatchenko D Industrial & Engineering Chemistry Research, 59(15), 6867, 2020 |
| 2 |
Electronic Structure and Photoluminescence Properties of EU(eta(9)-C9H9)(2) Ramanantoanina H, Merzoud L, Muya JT, Chermette H, Daul C Journal of Physical Chemistry A, 124(1), 152, 2020 |
| 3 |
Understanding Chemical Selectivity through Well Selected Excited States Guegan F, Pigeon T, De Proft F, Tognetti V, Joubert L, Chermette H, Ayers PW, Luneau D, Morell C Journal of Physical Chemistry A, 124(4), 633, 2020 |
| 4 |
Theoretical study of the mechanism and regioselectivity in the formation of pyrazolo[1,5-a]-[1,3,5]-triazines and pyrazolo[1,5-a]-[1,3,5] triazinones: A DFT study Manachou M, Morell C, Chermette H, Boughdiri S Chemical Physics Letters, 727, 95, 2019 |
| 5 |
Substituent Effect on the Himbert Intramolecular Arene/Allene Diets-Alder Reaction: NBO Analysis and State Specific Dual Descriptors Merzoud L, Saal A, Morell C, Chermette H Journal of Physical Chemistry A, 123(50), 10730, 2019 |
| 6 |
Theoretical and experimental study of the fragmentation of protonated uracil Sadr-Arani L, Mignon P, Chermette H, Douki T Chemical Physics Letters, 605, 108, 2014 |
| 7 |
Hydrogen release from charged fragments of the uracil cation followed by their fragmentation: A DFT study Arani LS, Mignon P, Abdoul-Carime H, Farizon B, Farizon M, Chermette H Chemical Physics Letters, 583, 165, 2013 |
| 8 |
Unusual reactivities of acridine derivatives in catalytic hydrogenation. A combined experimental and theoretical study Mignon P, Tiano M, Belmont P, Favre-Reguillon A, Chermette H, Fache F Journal of Molecular Catalysis A-Chemical, 371, 63, 2013 |
| 9 |
Use of the Dual Potential to Rationalize the Occurrence of Some DNA Lesions (Pyrimidic Dimers) Morell C, Labet V, Ayers PW, Genovese L, Grand A, Chermette H Journal of Physical Chemistry A, 115(27), 8032, 2011 |
| 10 |
Photocatalytic Degradation of Diuron: Experimental Analyses and Simulation of HO degrees Radical Attacks by Density Functional Theory Calculations Carrier M, Guillard C, Besson M, Bordes C, Chermette H Journal of Physical Chemistry A, 113(22), 6365, 2009 |