| 1 |
Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis
Cherni E, Adjieufack AI, Champagne B, Abderrabba M, Ayadi S, Liegeois V
Journal of Physical Chemistry A, 124(20), 4068, 2020 |
| 2 |
Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study
Louant O, Champagne B, Liegeois V
Journal of Physical Chemistry A, 122(4), 972, 2018 |
| 3 |
Intramolecular [3+2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)
Adjieufack AI, Liegeois V, Mboumbouo IN, Mbadcam JK, Champagne B
Journal of Physical Chemistry A, 122(37), 7472, 2018 |
| 4 |
Electronic Band Structure of Helical Polyisocyanides
Charnpagne B, Liegeois V, Fripiat JG, Harris FE
Journal of Physical Chemistry A, 121(41), 7993, 2017 |
| 5 |
Numerical differentiation method to calculate molecular properties at ground and excited states - Application to Julolidinemalononitrile
Louant O, Champagne B, Liegeois V
Chemical Physics Letters, 634, 249, 2015 |
| 6 |
Theoretical Insight into the Inelastic Electron Tunneling Spectra of an Anil Derivative
Segerie A, Liegeois V, Champagne B, Lin LL, Luo Y
Journal of Physical Chemistry A, 117(48), 12783, 2013 |
| 7 |
Theoretical Investigation of Raman Optical Activity Signatures of Troger's Base
Liegeois V, Champagne B
Journal of Physical Chemistry A, 115(46), 13706, 2011 |
| 8 |
Analysis of Vibrational Raman Optical Activity Signatures of the (TG)(N) and (GG)(N) Conformations of Isotactic Polypropylene Chains in Terms of Localized Modes
Liegeois V, Jacob CR, Champagne B, Reiher M
Journal of Physical Chemistry A, 114(26), 7198, 2010 |
| 9 |
Combined Experimental and Theoretical Study on the Raman and Raman Optical Activity Signatures of Pentamethylundecane Diastereoisomers
Drooghaag X, Marchand-Brynaert J, Champagne B, Liegeois V
Journal of Physical Chemistry B, 114(36), 11753, 2010 |
| 10 |
Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye
Guillaume M, Liegeois V, Champagne B, Zutterman F
Chemical Physics Letters, 446(1-3), 165, 2007 |
