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Quantum chemical study of carbon monoxide adsorption at the MgO(100) surface

Karl Jug and Gerald Geudtner
The Journal of Chemical Physics 105 (12) 5285 (1996)
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Comment on “First-principles determination of the bonding mechanism and adsorption energy for CO/MgO(001)” [Chem. Phys. Lett. 290 (1998) 255]

Francesc Illas, Gianfranco Pacchioni, Alexander Pelmenschikov, et al.
Chemical Physics Letters 306 (3-4) 202 (1999)
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Dynamical model for the interpretation of the geometry of the (4×2) CO layer adsorbed on MgO (001)

C. Girardet, P. N. M. Hoang and S. Picaud
Physical Review B 53 (24) 16615 (1996)
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The adsorption of CO2 and N2O on the MgO(001) single crystal surface: a comparative PIRSS and LEED study

J. Heidberg and B. Redlich
Surface Science 368 (1-3) 140 (1996)
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Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces

F.O. Sánchez-Varretti, G.D. García and A.J. Ramirez-Pastor
Physica A: Statistical Mechanics and its Applications 391 (4) 1158 (2012)
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Interaction of acetylene molecules with the MgO(100) surface: LEED experiments and potential-energy calculations

D. Ferry, J. Suzanne, P.N.M. Hoang and C. Girardet
Surface Science 375 (2-3) 315 (1997)
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Quasi-chemical approximation for polyatomics: Statistical thermodynamics of adsorption

M. Dávila, F. Romá, J.L. Riccardo and A.J. Ramirez-Pastor
Surface Science 600 (10) 2011 (2006)
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Maximum cumulant method for studying condensation-evaporation phase transitions

G. J. dos Santos, D. H. Linares and A. J. Ramirez-Pastor
Physical Review E 98 (3) (2018)
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A new theoretical approach to multilayer adsorption of polyatomics

F. Romá, A.J. Ramirez-Pastor and J.L. Riccardo
Surface Science 583 (2-3) 213 (2005)
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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications

Alexis Markovits, Jamila Ahdjoudj and Christian Minot
Topics in Molecular Organization and Engineering, Quantum Systems in Chemistry and Physics. Trends in Methods and Applications 16 245 (1997)
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QUANTUM CHEMISTRY OF OXIDE SURFACES: FROM CO CHEMISORPTION TO THE IDENTIFICATION OF THE STRUCTURE AND NATURE OF POINT DEFECTS ON MgO

GIANFRANCO PACCHIONI
Surface Review and Letters 07 (03) 277 (2000)
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Hartree–Fock periodic study of the chemisorption of small molecules on TiO2 and MgO surfaces

J Ahdjoudj, A Markovits and C Minot
Catalysis Today 50 (3-4) 541 (1999)
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Vibrational Stark effect of CO on NaCl(100)

David K. Lambert, G. P. M. Poppe and C. M. J. Wijers
The Journal of Chemical Physics 103 (14) 6206 (1995)
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Femtosecond dynamics of excited states ofCOadsorbed onMgO(001)‐(1×1)

Neng-Ping Wang, Michael Rohlfing, Peter Krüger and Johannes Pollmann
Physical Review B 71 (4) 045407 (2005)
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On the difficulty for finding the orientational geometries of adsorbed monolayers: illustration with the system

P.N.M. Hoang, S. Picaud and C. Girardet
Surface Science 360 (1-3) 261 (1996)
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Theoretical study of the adsorption of acids and bases on TiO2 and MgO surfaces

A. Markovits, J. Ahdjoudj and C. Minot
Il Nuovo Cimento D 19 (11) 1719 (1997)
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The structure of ammonia molecules on MgO(100) surfaces from monolayer to bulk condensation

V. Panella, J. Suzanne and J.-P. Coulomb
Surface Science 350 (1-3) L211 (1996)
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Electron-count control on adsorption upon reducible and irreducible clean metal-oxide surfaces

M Calatayud, A Markovits and C Minot
Catalysis Today 89 (3) 269 (2004)
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On modelling the interaction of CO on the MgO(100) surface

J.A. Mejías, A.M. Márquez, J. Fernández Sanz, et al.
Surface Science 327 (1-2) 59 (1995)
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Restoring the band gap of metal oxide surfaces by redox adsorption

M. Calatayud, A. Markovits and C. Minot
Journal of Molecular Structure: THEOCHEM 709 (1-3) 87 (2004)
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First principles determinations of the bonding mechanism and adsorption energy for CO/MgO(001)

Lujun Chen, Ruqian Wu, N Kioussis and Qiming Zhang
Chemical Physics Letters 290 (1-3) 255 (1998)
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The structure of the c(4×2) CO/MgO() monolayer revisited by neutron diffraction

B Demirdjian, D Ferry, J Suzanne, et al.
Surface Science 494 (3) 206 (2001)
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Structure and dynamics of : a helium atom scattering study

R. Gerlach, A. Glebov, G. Lange, J.P. Toennies and H. Weiss
Surface Science 331-333 1490 (1995)
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Davydov and site symmetry splitting in polarized infrared spectra of ordered monolayers. A quantitative theoretical analysis of vibrational frequencies and integrated absorptions for CO2 on NaCl(100)

J. Heidberg, M. Hustedt, E. Kampshoff and V.M. Rozenbaum
Surface Science 427-428 431 (1999)
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Theory of CO adsorption on MgO(100): the influence of intermolecular interactions on the CO orientation

Christian Minot, Michel A Van Hove and Jean-Paul Biberian
Surface Science 346 (1-3) 283 (1996)
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CO2 adsorption on (001) surfaces of metal monoxides with rock-salt structure

Ramzi Hammami, Adnene Dhouib, Sébastien Fernandez and Christian Minot
Catalysis Today 139 (3) 227 (2008)
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A theoretical study of CO2 adsorption on TiO2

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Journal of Molecular Structure: THEOCHEM 371 219 (1996)
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Comparative studies on the adsorption of small molecules at NaCl and MgO surfaces

Karl Jug and Gerald Geudtner
Journal of Molecular Catalysis A: Chemical 119 (1-3) 143 (1997)
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Monte Carlo simulations of the adsorption of CO2 on the MgO(100) surface

Christopher D. Daub, G. N. Patey, D. B. Jack and A. K. Sallabi
The Journal of Chemical Physics 124 (11) 114706 (2006)
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Statistical thermodynamics of straight rigid rods with nonadditive lateral interactions: Theory and Monte Carlo simulations

O. A. Pinto, F. Nieto and A. J. Ramirez-Pastor
Physical Review E 84 (6) 061142 (2011)
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Adsorbed Layers on Surfaces

J. Suzanne
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Adsorbed Layers on Surfaces

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Theoretical Aspects of Heterogeneous Catalysis

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Progress in Theoretical Chemistry and Physics, Theoretical Aspects of Heterogeneous Catalysis 8 241 (2001)
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Adsorbed Layers on Surfaces. Part 5: Adsorption of molecules on metal, semiconductor and oxide surfaces

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