| 1 |
Bond Breaking and Bond Making in Tetraoxygen: Analysis of the O-2(X-3 Sigma(-)(g)) + O-2(X-3 Sigma(-)(g)) reversible arrow O-4 Reaction Using the Electron Pair Localization Function
Scemama A, Caffarel M, Ramirez-Solis A
Journal of Physical Chemistry A, 113(31), 9014, 2009 |
| 2 |
Energies, stability and structure properties of radicals derived from organic sulfides containing an acetyl group after the (OH)-O-center dot attack: ab initio and DFT calculations vs experiment
Berges J, Varmenot N, Scemama A, Abedinzadeh Z, Bobrowski K
Journal of Physical Chemistry A, 112(30), 7015, 2008 |
| 3 |
Theoretical study of the electrocyclization product of butadiyne: structure, stability and possible formations
Chaquin P, Scemama A
Chemical Physics Letters, 394(4-6), 244, 2004 |
| 4 |
Electron pair localization function: A practical tool to visualize electron localization in molecules from quantum Monte Carlo data
Scemama A, Chaquin P, Caffarel M
Journal of Chemical Physics, 121(4), 1725, 2004 |
| 5 |
Spectral, kinetic, and theoretical studies of sulfur-centered reactive intermediates derived from thioethers containing an acetyl group
Varmenot N, Berges J, Abedinzadeh Z, Scemama A, Strzelczak G, Bobrowski K
Journal of Physical Chemistry A, 108(30), 6331, 2004 |
| 6 |
Semi-empirical calculation of electronic absorption wavelengths of polyynes, monocyano- and dicyanopolyynes. Predictions for long chain compounds and carbon allotrope carbyne
Scemama A, Chaquin P, Gazeau MC, Benilan Y
Chemical Physics Letters, 361(5-6), 520, 2002 |
| 7 |
Theoretical study of the structure and properties of polyynes and monocyano- and dicyanopolyynes: Predictions for long chain compounds
Scemama A, Chaquin P, Gazeau MC, Benilan Y
Journal of Physical Chemistry A, 106(15), 3828, 2002 |
