Christian Minot

Overview

Best Publications

• Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals

  Frédéric Labat;Philippe Baranek;Christophe Domain;Christian Minot

  479
  Citations

• Theoretical analysis of the structures of titanium dioxide crystals

  Adil Fahmi;Christian Minot;Bernard Silvi;Mauro Causá

  371
  Citations

• Reactivity of a reduced metal oxide surface: hydrogen, water and carbon monoxide adsorption on oxygen defective rutile TiO2(110)

  M Menetrey;A Markovits;C Minot

  242
  Citations

• A theoretical investigation of water adsorption on titanium dioxide surfaces

  Adil Fahmi;Christian Minot

  234
  Citations

• Molecular surface structure of ice(0001): dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations

  N. Materer;N. Materer;U. Starke;U. Starke;A. Barbieri;M.A. Van Hove;M.A. Van Hove

  226
  Citations

• Adsorption on perfect and reduced surfaces of metal oxides

  M. Calatayud;A. Markovits;M. Menetrey;B. Mguig

  193
  Citations

• Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal.

  N. Materer;U. Starke;A. Barbieri;A M van Hove

  188
  Citations

• Diffusion versus desorption: complex behavior of H atoms on an oxide surface.

  X.-L. Yin;M. Calatayud;H. Qiu;Y. Wang

  160
  Citations

• Comparison of the reduction of metal oxide surfaces: TiO2-anatase, TiO2-rutile and SnO2-rutile

  Asmae Bouzoubaa;Alexis Markovits;Mònica Calatayud;Christian Minot

  157
  Citations

• A covalent model for the bonding of adsorbed hydrocarbon fragments on the (111) face of platinum

  C. Minot;M.A. Van Hove;G.A. Somorjai

  152
  Citations

• Periodic ab initio study of the hydrogenated rutile TiO2(1 1 0) surface

  J Leconte;A Markovits;M.K Skalli;M.K Skalli;C Minot

  145
  Citations

• Catalytic epoxidation by heteropolyoxoperoxo complexes: from novel precursors or catalysts to a mechanistic approach

  Laurent Salles;Jean-Yves Piquemal;René Thouvenot;Christian Minot

  118
  Citations

• Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces

  Asmae Bouzoubaa;Boubakar Diawara;Vincent Maurice;Christian Minot

  111
  Citations

• A theoretical study of CO2 adsorption on TiO2

  Alexis Markovits;Adil Fahmi;Christian Minot

  108
  Citations

• A theoretical analysis of NH3 adsorption on TiO2

  Alexis Markovits;Jamila Ahdjoudj;Christian Minot

  106
  Citations

• Crystal studies, vibrational spectra and non-linear optical properties of L-histidine chloride monohydrate.

  A. Ben Ahmed;H. Feki;Y. Abid;H. Boughzala

  103
  Citations

• Theoretical study of the termination of the Fe3O4 (111) surface

  Jamila Ahdjoudj;Cyril Martinsky;Christian Minot;Michel A. Van Hove;Michel A. Van Hove

  103
  Citations

• Conditions favoring retention of configuration in SN2 reactions. A perturbational study

  Nguyen Trong Anh;Christian Minot

  100
  Citations

• Crystal structure, vibrational spectra and theoretical studies of l-histidinium dihydrogen phosphate-phosphoric acid

  A. Ben Ahmed;H. Feki;Y. Abid;H. Boughzala

  99
  Citations

• Periodic DFT Study of the Structural and Electronic Properties of Bulk CoAl2O4 Spinel

  Frederik Tielens;M Calatayud;R Franco;Jm Recio

  98
  Citations

• Effect of relaxation on structure and reactivity of anatase (1 0 0) and (0 0 1) surfaces

  Mònica Calatayud;Christian Minot

  97
  Citations

• Competitive hydrogenation of benzene and toluene: Theoretical study of their adsorption on ruthenium, rhodium, and palladium

  Christian Minot;Pierre Gallezot

  93
  Citations