Laboratoire de Chimie Théorique

Top Publications

Top Publications Authored or Co-Authored in "Laboratoire de Chimie Théorique"

• Theoretical study of solvent effect on intramolecular proton transfer of glycine

  Journal of Molecular Structure: THEOCHEM, Volume 531, No. 1-3, Year 2000, Citations 90
• Periodic ab initio study of the hydrogenated rutile TiO2(1 1 0) surface

  Surface Science, Volume 497, No. 1-3, Year 2002, Citations 87
• Crystal studies, vibrational spectra and non-linear optical properties of l-histidine chloride monohydrate

  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Volume 75, No. 1, Year 2010, Citations 83
• Crystal structure, vibrational spectra and theoretical studies of l-histidinium dihydrogen phosphate-phosphoric acid

  Journal of Molecular Structure, Volume 920, No. 1-3, Year 2009, Citations 74
• Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: A DFT study

  Journal of Physical Organic Chemistry, Volume 24, No. 7, Year 2011, Citations 72