| Year |
Citation |
Score |
| 2017 |
Dargouthi S, Minot C, Tangour B. Structural study of TiO2 nanotube based to the (101) anatase surface Superlattices and Microstructures. 102: 307-313. DOI: 10.1016/J.Spmi.2016.12.058 |
0.373 |
|
| 2017 |
Jedidi A, Aziz SG, Cavallo L, Minot C. Toward better understanding of the support effect: Test cases for CO dissociation on Fen/TiO2(1 1 0), n = 4, 5 Chemical Physics Letters. 684: 30-35. DOI: 10.1016/J.Cplett.2017.06.031 |
0.33 |
|
| 2017 |
Helali Z, Jedidi A, Syzgantseva OA, Calatayud M, Minot C. Scaling reducibility of metal oxides Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2130-Y |
0.601 |
|
| 2015 |
Helali Z, Jedidi A, Markovits A, Minot C, Abderrabba M. Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1652-4 |
0.651 |
|
| 2014 |
Jedidi A, Markovits A, Minot C, Abderrabba M, Van Hove MA. CO dissociation on magnetic Fe(n) clusters. Physical Chemistry Chemical Physics : Pccp. 16: 20703-13. PMID 25162295 DOI: 10.1039/C4Cp01527D |
0.631 |
|
| 2014 |
Elleuch N, Ben Ahmed A, Feki H, Abid Y, Minot C. Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 121: 129-38. PMID 24231749 DOI: 10.1016/J.Saa.2013.10.039 |
0.31 |
|
| 2014 |
Helali Z, Calatayud M, Minot C. Novel delta-Ta2O5 structure obtained from DFT calculations Journal of Physical Chemistry C. 118: 13652-13658. DOI: 10.1021/Jp503088H |
0.593 |
|
| 2014 |
Helali Z, Markovits A, Minot C, Abderrabba M. Metal atom adsorption on a defective TiO2-x support Chemical Physics Letters. 594: 23-29. DOI: 10.1016/J.Cplett.2014.01.019 |
0.707 |
|
| 2014 |
Jedidi A, Norelus W, Markovits A, Minot C, Illas F, Abderrabba M. Exploring CO dissociation on fe nanoparticles by density functional theory-based methods: Fe13 as a case study Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/S00214-013-1430-0 |
0.634 |
|
| 2013 |
Helali Z, Markovits A, Minot C, Abderrabba M. Support effect on H adsorption on a metal atom Chemical Physics Letters. 565: 45-51. DOI: 10.1016/J.Cplett.2013.02.026 |
0.646 |
|
| 2012 |
Syzgantseva OA, Calatayud M, Minot C. Revealing the surface reactivity of zirconia by periodic DFT calculations Journal of Physical Chemistry C. 116: 6636-6644. DOI: 10.1021/Jp209898Q |
0.65 |
|
| 2012 |
Boudjennad E, Chafi Z, Ouafek N, Ouhenia S, Keghouche N, Minot C. Experimental and theoretical study of the Ni-(m-ZrO 2) interaction Surface Science. 606: 1208-1214. DOI: 10.1016/J.Susc.2012.03.019 |
0.479 |
|
| 2012 |
Jedidi A, Markovits A, Minot C, Abderrabba M. Core restructuring for magnetic Fe 55 icosahedral nanoparticles Chemical Physics Letters. 541: 101-104. DOI: 10.1016/J.Cplett.2012.05.066 |
0.624 |
|
| 2012 |
Helali Z, Markovits A, Minot C, Dhouib A, Abderrabba M. Improved convergence of rutile-TiO 2(1 1 0) slab properties with thickness by one-side saturation Chemical Physics Letters. 531: 90-93. DOI: 10.1016/J.Cplett.2012.02.017 |
0.666 |
|
| 2012 |
Quaino P, Syzgantseva O, Siffert L, Tielens F, Minot C, Calatayud M. Unravelling the enhanced reactivity of bulk CeO 2 doped with gallium: A periodic DFT study Chemical Physics Letters. 519: 69-72. DOI: 10.1016/J.Cplett.2011.11.022 |
0.706 |
|
| 2012 |
Helali Z, Markovits A, Minot C, Abderrabba M. First-row transition metal atoms adsorption on rutile TiO 2(110) surface Structural Chemistry. 23: 1309-1321. DOI: 10.1007/S11224-012-0058-3 |
0.716 |
|
| 2011 |
Shi XQ, Pang AB, Man KL, Zhang RQ, Minot C, Altman MS, Van Hove MA. C 60 on the Pt(111) surface: Structural tuning of electronic properties Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.235406 |
0.394 |
|
| 2011 |
Syzgantseva OA, Gonzalez-Navarrete P, Calatayud M, Bromley S, Minot C. Theoretical investigation of the hydrogenation of (TiO2) N clusters (N = 1-10) Journal of Physical Chemistry C. 115: 15890-15899. DOI: 10.1021/Jp2050349 |
0.622 |
|
| 2011 |
Messaoudi S, Dhouib A, Abderrabba M, Minot C. Wetting of intact and partially dissociated water layer on Ru(0001): A density functional study Journal of Physical Chemistry C. 115: 5834-5840. DOI: 10.1021/Jp1113416 |
0.333 |
|
| 2011 |
Syzgantseva O, Calatayud M, Minot C. Theoretical study of H2 dissociation on a ZrO2 cluster Chemical Physics Letters. 503: 12-17. DOI: 10.1016/J.Cplett.2010.11.005 |
0.563 |
|
| 2010 |
Guo CS, Van Hove MA, Zhang RQ, Minot C. Prospects for resolving chemical structure by atomic force microscopy: a first-principles study. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 16271-7. PMID 20973578 DOI: 10.1021/La101317S |
0.345 |
|
| 2010 |
Wang W, Shi X, Lin C, Zhang RQ, Minot C, Van Hove MA, Hong Y, Tang BZ, Lin N. Manipulating localized molecular orbitals by single-atom contacts. Physical Review Letters. 105: 126801. PMID 20867664 DOI: 10.1103/Physrevlett.105.126801 |
0.356 |
|
| 2010 |
Wang W, Shi X, Jin M, Minot C, Van Hove MA, Collin JP, Lin N. Electron stimulation of internal torsion of a surface-mounted molecular rotor. Acs Nano. 4: 4929-35. PMID 20731465 DOI: 10.1021/Nn101330C |
0.371 |
|
| 2010 |
Jedidi A, Markovits A, Minot C, Bouzriba S, Abderraba M. Modeling localized photoinduced electrons in rutile-TiO2 using periodic DFT+U methodology. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 16232-8. PMID 20572639 DOI: 10.1021/La101359M |
0.663 |
|
| 2010 |
Calatayud M, Yin XL, Qiu H, Wang Y, Birkner A, Minot C, Wöll Ch. Comment on "Imaging of the hydrogen subsurface site in rutile TiO2". Physical Review Letters. 104: 119603; author reply. PMID 20366513 DOI: 10.1103/Physrevlett.104.119603 |
0.547 |
|
| 2010 |
Ahmed AB, Feki H, Abid Y, Minot C. Molecular structure, vibrational spectra and nonlinear optical properties of orthoarsenic acid-tris-(hydroxymethyl)-aminomethane DFT study. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 75: 1315-20. PMID 20117044 DOI: 10.1016/J.Saa.2009.12.073 |
0.308 |
|
| 2010 |
Ben Ahmed A, Feki H, Abid Y, Boughzala H, Minot C. Crystal studies, vibrational spectra and non-linear optical properties of L-histidine chloride monohydrate. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 75: 293-8. PMID 19926520 DOI: 10.1016/J.Saa.2009.10.026 |
0.302 |
|
| 2010 |
Shi X, Zhang RQ, Minot C, Hermann K, Van Hove MA, Wang W, Lin N. Complex molecules on a flat metal surface: Large distortions induced by chemisorption can make physisorption energetically more favorable Journal of Physical Chemistry Letters. 1: 2974-2979. DOI: 10.1021/Jz1011753 |
0.429 |
|
| 2010 |
Wang W, Hong Y, Shi X, Minot C, Van Hove MA, Tang BZ, Lin N. Inspecting metal-coordination-induced perturbation of molecular ligand orbitals at a submolecular resolution Journal of Physical Chemistry Letters. 1: 2295-2298. DOI: 10.1021/Jz100855K |
0.311 |
|
| 2010 |
Shi XQ, Lin C, Minot C, Tseng TC, Tait SL, Lin N, Zhang RQ, Kern K, Cerdá JI, Van Hove MA. Structural analysis and electronic properties of negatively charged TCNQ: 2D networks of (TCNQ)2Mn assembled on Cu(100) Journal of Physical Chemistry C. 114: 17197-17204. DOI: 10.1021/Jp104954W |
0.356 |
|
| 2010 |
Syzgantseva O, Calatayud M, Minot C. Hydrogen adsorption on monoclinic (1̄11) and (1̄01) ZrO 2 surfaces: A periodic ab initio study Journal of Physical Chemistry C. 114: 11918-11923. DOI: 10.1021/Jp103463S |
0.668 |
|
| 2010 |
Van Hove MA, Hermann K, Watson PR, Woodruff DP, Tong SY, Diehl RD, Heinz K, Minot C, Tochihara H. A standard format for reporting atomic positions: Further needs and options Surface Science. 604: 1544-1547. DOI: 10.1016/J.Susc.2010.06.017 |
0.363 |
|
| 2009 |
Tseng TC, Lin C, Shi X, Tait SL, Liu X, Starke U, Lin N, Zhang R, Minot C, Van Hove MA, Cerdá JI, Kern K. Two-dimensional metal-organic coordination networks of Mn-7,7,8,8- tetracyanoquinodimethane assembled on Cu(100): Structural, electronic, and magnetic properties Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.155458 |
0.39 |
|
| 2009 |
Shi XQ, Pai WW, Xiao XD, Cerdá JI, Zhang RQ, Minot C, Van Hove MA. Significant negative differential resistance predicted in scanning tunneling spectroscopy for a C60 monolayer on a metal surface Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.075403 |
0.361 |
|
| 2009 |
Markovits A, Calatayud M, Femandez S, Minot C. Adsorption of Electropositive Atoms with an Odd Number of Electrons (H, K, Au) on a Perfect TiO2(11O) Surface Aip Conference Proceedings. 1102: 273-279. DOI: 10.1063/1.3108385 |
0.732 |
|
| 2009 |
Calatayud M, Minot C. Is there a nanosize for the activity of tiO2 compounds? Journal of Physical Chemistry C. 113: 12186-12194. DOI: 10.1021/Jp901465Q |
0.656 |
|
| 2009 |
Markovits A, Calatayud M, Minot C. Preface to special issue "Recent Advances in the Theoretical Understanding of Catalysis" Journal of Molecular Structure: Theochem. 903: 1-3. DOI: 10.1016/J.Theochem.2009.03.008 |
0.647 |
|
| 2009 |
Feki H, Ahmed AB, Fourati N, Abid Y, Minot C. Theoretical studies of molecular structure and vibrational spectra of the asymmetric squaraine [(2-dimethylamino-4-anilino) squaraine] Journal of Molecular Structure: Theochem. 895: 21-25. DOI: 10.1016/J.Theochem.2008.10.009 |
0.33 |
|
| 2009 |
Hammami R, Batis H, Minot C. Combined experimental and theoretical investigation of the CO2 adsorption on LaMnO3+y perovskite oxide Surface Science. 603: 3057-3067. DOI: 10.1016/J.Susc.2009.08.016 |
0.484 |
|
| 2009 |
Tielens F, Calatayud M, Franco R, Recio JM, Pérez-Ramírez J, Minot C. Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures Solid State Ionics. 180: 1011-1016. DOI: 10.1016/J.Ssi.2009.03.023 |
0.682 |
|
| 2009 |
Hammami R, Harrouch Batis N, Batis H, Minot C. Cation-deficient lanthanum manganite oxides: Experimental and theoretical studies Solid State Sciences. 11: 885-893. DOI: 10.1016/J.Solidstatesciences.2008.12.013 |
0.371 |
|
| 2009 |
Chafi Z, Keghouche N, Minot C. Density function theoretical study of interaction of hydrogen with ceria Physics Procedia. 2: 673-676. DOI: 10.1016/J.Phpro.2009.11.009 |
0.44 |
|
| 2009 |
Ahmed AB, Feki H, Abid Y, Boughzala H, Minot C, Mlayah A. Crystal structure, vibrational spectra and theoretical studies of l-histidinium dihydrogen phosphate-phosphoric acid Journal of Molecular Structure. 920: 1-7. DOI: 10.1016/J.Molstruc.2008.09.029 |
0.307 |
|
| 2009 |
Fernandez S, Alikhani E, Markovits A, Skalli MK, Minot C. Increased CO adsorption on supported VIB and IB metals Chemical Physics Letters. 475: 215-219. DOI: 10.1016/J.Cplett.2009.05.034 |
0.638 |
|
| 2009 |
Bouzoubaa A, Diawara B, Maurice V, Minot C, Marcus P. Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces Corrosion Science. 51: 2174-2182. DOI: 10.1016/J.Corsci.2009.05.048 |
0.461 |
|
| 2009 |
Bouzoubaa A, Diawara B, Maurice V, Minot C, Marcus P. Ab initio study of the interaction of chlorides with defect-free hydroxylated NiO surfaces Corrosion Science. 51: 941-948. DOI: 10.1016/J.Corsci.2009.01.028 |
0.469 |
|
| 2008 |
Yin XL, Calatayud M, Qiu H, Wang Y, Birkner A, Minot C, Wöll Ch. Diffusion versus desorption: complex behavior of H atoms on an oxide surface. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 253-6. PMID 18219659 DOI: 10.1002/Cphc.200700612 |
0.597 |
|
| 2008 |
Markovits A, Minot C. Comparative creation of surface Schottky defects on SnO2(110) and TiO2(110) Journal of Physics: Conference Series. 117. DOI: 10.1088/1742-6596/117/1/012021 |
0.587 |
|
| 2008 |
Calatayud M, Maldonado L, Minot C. Reactivity of (TiO2)N clusters (N = 1-10): probing gas-phase acidity and basicity properties Journal of Physical Chemistry C. 112: 16087-16095. DOI: 10.1021/Jp802851Q |
0.585 |
|
| 2008 |
Fernandez S, Markovits A, Minot C. First row transition metal atom adsorption on-top of F°s defects of a MgO(100) surface Journal of Physical Chemistry C. 112: 16491-16496. DOI: 10.1021/Jp802166Y |
0.665 |
|
| 2008 |
Fernandez S, Markovits A, Minot C. Coadsorption of gold with hydrogen or potassium on TiO2(110) surface Journal of Physical Chemistry C. 112: 14010-14014. DOI: 10.1021/Jp800708U |
0.697 |
|
| 2008 |
Dammak T, Fourati N, Abid Y, Mlayah A, Minot C. Structures and vibrational frequencies of the cyclic polyphosphate ion (P4O12)4- and the chain polyphosphate ion (PO3)4 4 - studied by combined DFT calculation and Raman spectroscopy Journal of Molecular Structure: Theochem. 852: 83-86. DOI: 10.1016/J.Theochem.2007.12.036 |
0.315 |
|
| 2008 |
Feki H, Fourati N, Abid Y, Minot C. Hartree-Fock and density functional theory calculations of the molecular structure and the vibrational spectra of 2-tert-butyldithio-5-methyl-1,3,4-thiadiazole Journal of Molecular Structure: Theochem. 852: 87-92. DOI: 10.1016/J.Theochem.2007.12.030 |
0.309 |
|
| 2008 |
Fernandez S, Markovits A, Minot C. Adsorption of the first row of transition metals on the perfect and defective MgO(1 0 0) surface Chemical Physics Letters. 463: 106-111. DOI: 10.1016/J.Cplett.2008.08.053 |
0.689 |
|
| 2008 |
Markovits A, Minot C. On the move of strongly chemisorbed species on metals: The example of O diffusion on Pd(1 1 1) surface Chemical Physics Letters. 458: 92-95. DOI: 10.1016/J.Cplett.2008.04.100 |
0.671 |
|
| 2008 |
Hammami R, Dhouib A, Fernandez S, Minot C. CO2 adsorption on (0 0 1) surfaces of metal monoxides with rock-salt structure Catalysis Today. 139: 227-233. DOI: 10.1016/J.Cattod.2008.08.036 |
0.488 |
|
| 2008 |
Lewandowska AE, Calatayud M, Lozano-Diz E, Minot C, Bañares MA. Combining theoretical description with experimental in situ studies on the effect of alkali additives on the structure and reactivity of vanadium oxide supported catalysts Catalysis Today. 139: 209-213. DOI: 10.1016/J.Cattod.2008.04.049 |
0.631 |
|
| 2007 |
Leininger JP, Minot C, Lorant F, Behar F. Density functional theory investigation of competitive free-radical processes during the thermal cracking of methylated polyaromatics: estimation of kinetic parameters. The Journal of Physical Chemistry. A. 111: 3082-90. PMID 17394290 DOI: 10.1021/Jp0643956 |
0.307 |
|
| 2007 |
Feki H, Fourati N, Abid Y, Minot C. The molecular structure and vibrational spectra of 3-acetyl-4-[N-(2'-aminopyridinyl)-3-amino]-3-buten-2-one by Hartree-Fock and density functional theory calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 67: 1201-5. PMID 17113822 DOI: 10.1016/J.Saa.2006.10.008 |
0.317 |
|
| 2007 |
Mamatkulov M, Sonnet P, Stauffer L, Minot C. Rotation possibility of a molecule adsorbed on the Si(001) surface: Ab initio study Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.115333 |
0.395 |
|
| 2007 |
Fernandez S, Markovits A, Fuster F, Minot C. First row transition metal atom adsorption on defect-free MgO(100) surface Journal of Physical Chemistry C. 111: 6781-6788. DOI: 10.1021/Jp068451E |
0.682 |
|
| 2007 |
Calatayud M, Minot C. Effect of alkali doping on a V2O5/TiO2 catalyst from periodic DFT calculations Journal of Physical Chemistry C. 111: 6411-6417. DOI: 10.1021/Jp068373V |
0.591 |
|
| 2007 |
Ménétrey M, Markovits A, Minot C. Adsorption of chlorine and oxygen atoms on clean and defective rutile-TiO2 (1 1 0) and MgO (1 0 0) surfaces Journal of Molecular Structure: Theochem. 808: 71-79. DOI: 10.1016/J.Theochem.2006.12.044 |
0.689 |
|
| 2007 |
Chafi Z, Keghouche N, Minot C. DFT study of Ni-CeO2 interaction: Adsorption and insertion Surface Science. 601: 2323-2329. DOI: 10.1016/J.Susc.2007.03.041 |
0.499 |
|
| 2007 |
Markovits A, Minot C, Ménétrey M, Sousa C, Illas F. Ab initio study of the optical transitions on low-coordinated sites of an intermediate F center: The Fs +(OH)- center on MgO(100) surface Solid State Ionics. 178: 173-178. DOI: 10.1016/J.Ssi.2006.12.005 |
0.626 |
|
| 2007 |
Si-Ahmed H, Calatayud M, Minot C, Diz EL, Lewandowska AE, Bañares MA. Combining theoretical description with experimental in situ studies on the effect of potassium on the structure and reactivity of titania-supported vanadium oxide catalyst Catalysis Today. 126: 96-102. DOI: 10.1016/J.Cattod.2007.03.003 |
0.609 |
|
| 2006 |
Islam MM, Bredow T, Minot C. Ionic conductivity of Li2B4O7. The Journal of Physical Chemistry. B. 110: 17518-23. PMID 16942093 DOI: 10.1021/Jp061785J |
0.365 |
|
| 2006 |
Islam MM, Bredow T, Minot C. Theoretical analysis of structural, energetic, electronic, and defect properties of Li2O. The Journal of Physical Chemistry. B. 110: 9413-20. PMID 16686484 DOI: 10.1021/Jp0566764 |
0.386 |
|
| 2006 |
Tielens F, Calatayud M, Franco R, Recio JM, Pérez-Ramírez J, Minot C. Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel. The Journal of Physical Chemistry. B. 110: 988-95. PMID 16471633 DOI: 10.1021/Jp053375L |
0.704 |
|
| 2006 |
Mamatkulov M, Stauffer L, Minot C, Sonnet P. Ab initio study of biphenyl chemisorption on Si(001): Configurational stability Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.035321 |
0.455 |
|
| 2006 |
Tielens F, Minot C. DFT study of the water/MgO(1 0 0) interface in acidic and basic media Surface Science. 600: 357-365. DOI: 10.1016/J.Susc.2005.10.033 |
0.603 |
|
| 2006 |
Valcárcel A, Ricart JM, Clotet A, Illas F, Markovits A, Minot C. Theoretical study of dehydrogenation and isomerisation reactions of propylene on Pt(111) Journal of Catalysis. 241: 115-122. DOI: 10.1016/J.Jcat.2006.04.022 |
0.685 |
|
| 2006 |
Islam MM, Bredow T, Minot C. Comparison of trigonal B2O3 structures with high and low space-group symmetry Chemical Physics Letters. 418: 565-568. DOI: 10.1016/J.Cplett.2005.11.037 |
0.317 |
|
| 2006 |
Markovits A, Mguig B, Calatayud M, Minot C. Spin localization for NO adsorption on surface O atoms of metal oxides Catalysis Today. 113: 201-207. DOI: 10.1016/J.Cattod.2005.11.081 |
0.769 |
|
| 2006 |
Calatayud M, Minot C. Reactivity of the V2O5-TiO2-anatase catalyst: Role of the oxygen sites Topics in Catalysis. 41: 17-26. DOI: 10.1007/S11244-006-0090-X |
0.6 |
|
| 2005 |
Islam MM, Maslyuk VV, Bredow T, Minot C. Structural and electronic properties of Li(2)b(4)O(7). The Journal of Physical Chemistry. B. 109: 13597-604. PMID 16852703 DOI: 10.1021/Jp044715Q |
0.361 |
|
| 2005 |
Gracia L, Calatayud M, Andrés J, Minot C, Salmeron M. Migration of the subsurface C impurity in Pd(111) Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.033407 |
0.5 |
|
| 2005 |
Bouzoubaa A, Markovits A, Calatayud M, Minot C. Comparison of the reduction of metal oxide surfaces: TiO 2-anatase, TiO2-rutile and SnO2-rutile Surface Science. 583: 107-117. DOI: 10.1016/J.Susc.2005.03.029 |
0.765 |
|
| 2005 |
Sonnet P, Stauffer L, Habar M, Minot C. Molecular precursor-mediated methanol dissociation on Si(1 1 1)7 × 7: Ab initio study Surface Science. 577: 15-21. DOI: 10.1016/J.Susc.2004.12.010 |
0.393 |
|
| 2005 |
Tielens F, Calatayud M, Beltrán A, Minot C, Andrés J. Lithium insertion and mobility in the TiO2-anatase/titanate structure: A periodic DFT study Journal of Electroanalytical Chemistry. 581: 216-223. DOI: 10.1016/J.Jelechem.2005.04.009 |
0.715 |
|
| 2005 |
Casassa S, Calatayud M, Doll K, Minot C, Pisani C. Proton ordered cubic and hexagonal periodic models of ordinary ice Chemical Physics Letters. 409: 110-117. DOI: 10.1016/J.Cplett.2005.04.068 |
0.556 |
|
| 2005 |
Calatayud M, Mguig B, Minot C. A DFT study on the hydrated V2O5-TiO 2-anatase catalyst: Stability of monomeric species Theoretical Chemistry Accounts. 114: 29-37. DOI: 10.1007/S00214-005-0640-5 |
0.581 |
|
| 2004 |
Ménétrey M, Markovits A, Minot C, Pacchioni G. Formation of Schottky defects at the surface of MgO, TiO2, and SnO2: A comparative density functional theoretical study Journal of Physical Chemistry B. 108: 12858-12864. DOI: 10.1021/Jp048497C |
0.697 |
|
| 2004 |
Calatayud M, Minot C. Reactivity of the oxygen sites in the V2O5/TiO 2 anatase catalyst Journal of Physical Chemistry B. 108: 15679-15685. DOI: 10.1021/Jp048086W |
0.632 |
|
| 2004 |
Mguig B, Calatayud M, Minot C. CO oxidation over anatase TiO 2-(001) Journal of Molecular Structure: Theochem. 709: 73-78. DOI: 10.1016/J.Theochem.2003.09.015 |
0.645 |
|
| 2004 |
Calatayud M, Markovits A, Minot C. Restoring the band gap of metal oxide surfaces by redox adsorption Journal of Molecular Structure: Theochem. 709: 87-96. DOI: 10.1016/J.Theochem.2003.09.014 |
0.768 |
|
| 2004 |
Ménétrey M, Markovits A, Minot C. DFT study of Cl/MgO(1 0 0), influence of the stoichiometry Surface Science. 566: 693-697. DOI: 10.1016/J.Susc.2004.06.001 |
0.709 |
|
| 2004 |
Calatayud M, Minot C. Effect of relaxation on structure and reactivity of anatase (1 0 0) and (0 0 1) surfaces Surface Science. 552: 169-179. DOI: 10.1016/J.Susc.2004.01.036 |
0.653 |
|
| 2004 |
Ménétrey M, Markovits A, Minot C, Del Vitto A, Pacchioni G. FS + and FS +(OH-) defect centers at the MgO(1 0 0) surface: Cluster and periodic calculations Surface Science. 549: 294-304. DOI: 10.1016/J.Susc.2003.12.008 |
0.659 |
|
| 2004 |
Calatayud M, Mguig B, Minot C. Modeling catalytic reduction of NO by ammonia over V2O 5 Surface Science Reports. 55: 169-236. DOI: 10.1016/J.Surfrep.2004.05.002 |
0.598 |
|
| 2004 |
Ménétrey M, Markovits A, Minot C. Modeling of FS 2+ center at the magnesium oxide (1 0 0) hydrated surface Chemical Physics Letters. 391: 120-123. DOI: 10.1016/J.Cplett.2004.04.090 |
0.657 |
|
| 2004 |
Minot C. Modeling of high-pressure CO dissociation on Pt(1 0 0) and Pt(1 1 1) Catalysis Today. 89: 357-362. DOI: 10.1016/J.Cattod.2003.12.016 |
0.408 |
|
| 2004 |
Calatayud M, Markovits A, Minot C. Electron-count control on adsorption upon reducible and irreducible clean metal-oxide surfaces Catalysis Today. 89: 269-278. DOI: 10.1016/J.Cattod.2003.12.015 |
0.767 |
|
| 2003 |
Pineau N, Minot C, Maurice V, Marcus P. Density Functional Theory Study of the Interaction of Cl- with Passivated Nickel Surfaces Electrochemical and Solid-State Letters. 6: B47-B51. DOI: 10.1149/1.1612012 |
0.41 |
|
| 2003 |
Mguig B, Calatayud M, Minot C. Theoretical investigation of NO oxidation over TiO2-anatase Surface Review and Letters. 10: 175-182. DOI: 10.1142/S0218625X03005281 |
0.669 |
|
| 2003 |
Markovits A, Paniagua JC, López N, Minot C, Illas F. Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100) Physical Review B - Condensed Matter and Materials Physics. 67: 1154171-1154176. DOI: 10.1103/Physrevb.67.115417 |
0.654 |
|
| 2003 |
Chevreau H, Martinsky C, Sevin A, Minot C, Silvi B. The nature of the chemical bonding in the D3h and C2v isomers of Fe3(CO)12 New Journal of Chemistry. 27: 1049-1053. DOI: 10.1039/B212162J |
0.345 |
|
| 2003 |
Markovits A, Minot C. Theoretical study of the acetonitrile flip-flop with the electric field orientation: Adsorption on a Pt(111) electrode surface Catalysis Letters. 91: 225-234. DOI: 10.1023/B:Catl.0000007159.44698.6C |
0.666 |
|
| 2003 |
Calatayud M, Markovits A, Menetrey M, Mguig B, Minot C. Adsorption on perfect and reduced surfaces of metal oxides Catalysis Today. 85: 125-143. DOI: 10.1016/S0920-5861(03)00381-X |
0.771 |
|
| 2003 |
Calatayud M, Mguig B, Minot C. A periodic model for the V2O5-TiO2 (anatase) catalyst. Stability of dimeric species Surface Science. 526: 297-308. DOI: 10.1016/S0039-6028(02)02673-0 |
0.634 |
|
| 2003 |
Menetrey M, Markovits A, Minot C. Reactivity of a reduced metal oxide surface: Hydrogen, water and carbon monoxide adsorption on oxygen defective rutile TiO2(1 1 0) Surface Science. 524: 49-62. DOI: 10.1016/S0039-6028(02)02464-0 |
0.69 |
|
| 2003 |
Calatayud M, Courmier D, Minot C. Ionization of HCl and HF in ice: A periodic DFT study Chemical Physics Letters. 369: 287-292. DOI: 10.1016/S0009-2614(02)02016-X |
0.56 |
|
| 2002 |
Kachurovskaya NA, Zhidomirov GM, Minot C. Periodic DFT study of isomorphous incorporation of a V ion into (100) and (001) anatase surface layers Surface Review and Letters. 9: 1425-1430. DOI: 10.1142/S0218625X02003962 |
0.43 |
|
| 2002 |
Valcarcel A, Ricart JM, Clotet A, Markovits A, Minot C, Illas F. Structure and bonding of propyne on Cu(111) from density functional periodic and cluster models Journal of Chemical Physics. 116: 1165-1170. DOI: 10.1063/1.1428351 |
0.664 |
|
| 2002 |
Valcárcel A, Ricart JM, Clotet A, Markovits A, Minot C, Illas F. Theoretical study of the structure of propene adsorbed on Pt(111) Surface Science. 519: 250-258. DOI: 10.1016/S0039-6028(02)02220-3 |
0.666 |
|
| 2002 |
Leconte J, Markovits A, Skalli MK, Minot C, Belmajdoub A. Periodic ab initio study of the hydrogenated rutile TiO2(1 1 0) surface Surface Science. 497: 194-204. DOI: 10.1016/S0039-6028(01)01477-7 |
0.703 |
|
| 2002 |
Markovits A, Minot C. Theoretical investigation of the Ziegler-Natta catalysis in heterogeneous conditions International Journal of Quantum Chemistry. 89: 389-396. DOI: 10.1002/qua.10268 |
0.501 |
|
| 2001 |
Markovits A, Skalli MK, Minot C, Pacchioni G, López N, Illas F. The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100) Journal of Chemical Physics. 115: 8172-8177. DOI: 10.1063/1.1407824 |
0.669 |
|
| 2001 |
Skalli MK, Markovits A, Minot C, Belmajdoub A. A theoretical investigation of the role of AlR3 as cocatalyst Catalysis Letters. 76: 7-9. DOI: 10.1023/A:1016763706792 |
0.58 |
|
| 2001 |
Martinsky C, Minot C, Ricart JM. A theoretical investigation of the binding of TiCln to MgCl2 Surface Science. 490: 237-250. DOI: 10.1016/S0039-6028(01)01373-5 |
0.467 |
|
| 2000 |
Martinsky C, Minot C. Theoretical investigation of structure of dinuclear titanium complexes Surface Science. 467: 152-168. DOI: 10.1016/S0039-6028(00)00748-2 |
0.31 |
|
| 2000 |
Ezzehar H, Sonnet P, Minot C, Stauffer L. Initial stages of NH3 adsorption on Si(111)7×7 Surface Science. 454: 358-362. DOI: 10.1016/S0039-6028(00)00161-8 |
0.421 |
|
| 1999 |
Sonnet P, Stauffer L, Minot C. Periodic Hartree-Fock calculation of the oxidation of Si(111) Surface Review and Letters. 6: 1031-1036. DOI: 10.1142/S0218625X99001116 |
0.476 |
|
| 1999 |
Ahdjoudj J, Markovits A, Minot C. Hartree-Fock periodic study of the chemisorption of small molecules on TiO2 and MgO surfaces Catalysis Today. 50: 541-551. DOI: 10.1016/S0920-5861(98)00489-1 |
0.692 |
|
| 1999 |
Ahdjoudj J, Martinsky C, Minot C, Van Hove MA, Somorjai GA. Theoretical study of the termination of the Fe3O4 (111) surface Surface Science. 443: 133-153. DOI: 10.1016/S0039-6028(99)01008-0 |
0.493 |
|
| 1998 |
Ezzine M, Pellegatti A, Minot C, Pellenq RJM, Olivier-Fourcade J, Boutalib A. Theoretical study of the thermochemistry of sulfur molecular crystals II. Lowest energy allotropes of polymeric ω-sulfurs New Journal of Chemistry. 22: 1505-1514. DOI: 10.1039/A805084H |
0.331 |
|
| 1998 |
Markovits A, Favaro L, Minot C. Hartree-Fock study of the Si(100) reconstruction Journal of Molecular Structure: Theochem. 458: 171-189. DOI: 10.1016/S0166-1280(98)00360-1 |
0.649 |
|
| 1998 |
Minot C, Markovits A. Introduction to theoretical approaches to chemisorption Journal of Molecular Structure: Theochem. 424: 119-134. DOI: 10.1016/S0166-1280(97)00235-2 |
0.67 |
|
| 1998 |
Sonnet P, Stauffer L, Ezzehar H, Minot C. Interpretation of the photoemission spectra of Pb/Si(111)-(7 × 7) in the initial stages of the Pb chemisorption: A theoretical study Surface Science. 416: 274-287. DOI: 10.1016/S0039-6028(98)00612-8 |
0.419 |
|
| 1998 |
Sonnet P, Stauffer L, Minot C. Adsorption and diffusion mechanisms of Pb on Si(111)-(7 × 7) in the initial stages of Pb chemisorption Surface Science. 407: 121-132. DOI: 10.1016/S0039-6028(98)00156-3 |
0.416 |
|
| 1998 |
Sonnet P, Stauffer L, Minot C. Comparison of the first stages of the adsorption of Pb and Ge on the Si(111)7 × 7 surface Surface Science. 402: 751-756. DOI: 10.1016/S0039-6028(97)01019-4 |
0.417 |
|
| 1998 |
Ahdjoudj J, Minot C. Adsorption of H2O on metal oxides: A periodic ab-initio investigation Surface Science. 402: 104-109. DOI: 10.1016/S0039-6028(97)00933-3 |
0.473 |
|
| 1997 |
STAUFFER L, MINOT C. BULK CONTRIBUTIONS TO THE PHOTOEMISSION SPECTRA OF CHEMISORBED HYDROGEN ON THE Si(111)-(7 × 7) SURFACE: A THEORETICAL STUDY Surface Review and Letters. 4: 53-58. DOI: 10.1142/S0218625X97000092 |
0.389 |
|
| 1997 |
Sonnet P, Stauffer L, Saintenoy S, Pirri C, Wetzel P, Gewinner G, Minot C. Electronic And Atomic Structure Of Two-Dimensional Ersi2 (1 X 1)-H On Si(111) Physical Review B. 56: 15171-15179. DOI: 10.1103/Physrevb.56.15171 |
0.328 |
|
| 1997 |
Markovits A, Ahdjoudj J, Minot C. Molecular Engineering. 7: 245-261. DOI: 10.1023/A:1008290700873 |
0.524 |
|
| 1997 |
Markovits A, Minot C. Ab initio periodic pseudopotential Hartree-Fock calculations of O2 dissociation on perfect Si(100) surface Journal of Molecular Catalysis a: Chemical. 119: 185-193. DOI: 10.1016/S1381-1169(96)00482-7 |
0.677 |
|
| 1997 |
Ezzehar H, Stauffer L, Leconte J, Minot C. The water adsorption on the Si(111)7 × 7 surface: A theoretical study Surface Science. 388: 220-230. DOI: 10.1016/S0039-6028(97)00398-1 |
0.458 |
|
| 1997 |
Materer N, Starke U, Barbieri A, Van Hove M, Somorjai G, Kroes G, Minot C. Molecular surface structure of ice(0001): dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations Surface Science. 381: 190-210. DOI: 10.1016/S0039-6028(97)00090-3 |
0.726 |
|
| 1997 |
Stauffer L, Sonnet P, Minot C. Electronic and atomic structure of in the initial stages of Ge chemisorption Surface Science. 371: 63-78. DOI: 10.1016/S0039-6028(96)00986-7 |
0.434 |
|
| 1997 |
Markovits A, Ahdjoudj J, Minot C. Theoretical study of the adsorption of acids and bases on TiO2 and MgO surfaces Nuovo Cimento Della Societa Italiana Di Fisica D - Condensed Matter, Atomic, Molecular and Chemical Physics, Biophysics. 19: 1719-1726. DOI: 10.1007/Bf03185367 |
0.671 |
|
| 1997 |
Markovits A, Ahdjoudj J, Minot C. Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases Molecular Engineering. 7: 245-261. DOI: 10.1007/978-94-011-4894-8_14 |
0.671 |
|
| 1996 |
Markovits A, Fahmi A, Minot C. A theoretical study of CO2 adsorption on TiO2 Journal of Molecular Structure: Theochem. 371: 219-235. DOI: 10.1016/S0166-1280(96)04696-9 |
0.669 |
|
| 1996 |
Markovits A, Ahdjoudj J, Minot C. A theoretical analysis of NH3 adsorption on TiO2 Surface Science. 365: 649-661. DOI: 10.1016/0039-6028(96)00753-4 |
0.689 |
|
| 1996 |
Fahmi A, Ahdjoudj J, Minot C. A theoretical study of H2S and MeSH adsorption on TiO2 Surface Science. 529-533. DOI: 10.1016/0039-6028(95)01196-X |
0.409 |
|
| 1996 |
Minot C, Van Hove MA, Biberian J. Theory of CO adsorption on MgO(100): the influence of intermolecular interactions on the CO orientation Surface Science. 346: 283-293. DOI: 10.1016/0039-6028(95)00937-X |
0.449 |
|
| 1995 |
MINOT C, VAN HOVE MA, SOMORJAI GA. BENZENE ADSORPTION ON Pt(111): A THEORETICAL STUDY Surface Review and Letters. 2: 285-295. DOI: 10.1142/S0218625X95000303 |
0.547 |
|
| 1995 |
Pellenq RJ, Pellegatti A, Nicholson D, Minot C. Adsorption of Argon in Silicalite. A Semiempirical Quantum Mechanical Study of the Repulsive Interaction The Journal of Physical Chemistry. 99: 10175-10180. DOI: 10.1021/J100025A018 |
0.306 |
|
| 1995 |
Materer N, Starke U, Barbieri A, van Hove M, Somorjai GA, Kroes GJ, Minot C. Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal The Journal of Physical Chemistry. 99: 6267-6269. DOI: 10.1021/J100017A002 |
0.72 |
|
| 1995 |
Fahmi A, Minot C, Fourré P, Nortier P. A theoretical study of the adsorption of oxalic acid on TiO2 Surface Science. 343: 261-272. DOI: 10.1016/0039-6028(95)00813-6 |
0.406 |
|
| 1995 |
Stauffer L, Ezzehar H, Bolmont D, Chelly R, Koulmann J, Minot C. Chemisorption of atomic hydrogen on the Si(111)7 × 7 reconstructed surface at low coverage Surface Science. 342: 206-214. DOI: 10.1016/0039-6028(95)00745-8 |
0.416 |
|
| 1994 |
Fahmi A, Minot C. A theoretical investigation of water adsorption on titanium dioxide surfaces Surface Science. 304: 343-359. DOI: 10.1016/0039-6028(94)91345-5 |
0.478 |
|
| 1994 |
Stauffer L, Van S, Bolmont D, Koulmann JJ, Minot C. First stages of Ge adsorption on the Si(111)7 × 7 surface: experimental and theoretical studies Surface Science. 274-279. DOI: 10.1016/0039-6028(94)90407-3 |
0.445 |
|
| 1994 |
Stauffer L, Minot C. A theoretical study of the initial stages of the hydrogenation of Si(111) 7×7 Catalysis Letters. 23: 1-11. DOI: 10.1007/Bf00812126 |
0.384 |
|
| 1993 |
Fahmi A, Minot C, Silvi B, Causá M. Theoretical analysis of the structures of titanium dioxide crystals. Physical Review. B, Condensed Matter. 47: 11717-11724. PMID 10005339 DOI: 10.1103/Physrevb.47.11717 |
0.308 |
|
| 1993 |
Stauffer L, Van S, Bolmont D, Koulmann J, Minot C. Non-equivalence of the adatoms in the das model of the Si(111) 7x7 surface, an extended Hückel model calculation Solid State Communications. 85: 935-940. DOI: 10.1016/0038-1098(93)90707-T |
0.396 |
|
| 1992 |
Stauffer L, Pirri C, Wetzel P, Mharchi A, Paki P, Bolmont D, Gewinner G, Minot C. Bulk electronic structure of AlB2-type erbium disilicide with and without Si vacancies. Physical Review. B, Condensed Matter. 46: 13201-13206. PMID 10003361 DOI: 10.1103/Physrevb.46.13201 |
0.315 |
|
| 1992 |
Halet JF, Saillard JY, Koudou C, Minot C, Nomikou Z, Hoffmann R, Demangeat C. An orbital analysis of hydrogen pairing in nonstoichiometric transition-metal hydrides Chemistry of Materials. 4: 153-161. DOI: 10.1021/Cm00019A031 |
0.356 |
|
| 1990 |
Maurice V, Minot C. Theoretical investigation of the mechanisms for olefinic hydrogenation on platinum(110) and platinum(111) surfaces The Journal of Physical Chemistry. 94: 8579-8588. DOI: 10.1021/J100386A018 |
0.32 |
|
| 1990 |
Minot C, Gallezot P. Competitive hydrogenation of benzene and toluene: Theoretical study of their adsorption on ruthenium, rhodium, and palladium Journal of Catalysis. 123: 341-348. DOI: 10.1016/0021-9517(90)90133-5 |
0.461 |
|
| 1990 |
Minot C, Lowe JP, Salem L. Dramatic bond strength alterations induced on a "rough" surface by small superficial metallic islands. I. Effect of island size and shape Catalysis Letters. 4: 195-215. DOI: 10.1007/Bf00765936 |
0.676 |
|
| 1988 |
Minot C, Sevin A, Leforestier C, Salem L. Hydrogen dissociation on large finite crystals by a direct diagonalization method The Journal of Physical Chemistry. 92: 904-908. DOI: 10.1021/J100315A009 |
0.301 |
|
| 1988 |
Minot C, Bigot B, Hariti A. A theoretical investigation of the two-dimensional growth of silver clusters: The silver bubble Surface Science. 203: 525-553. DOI: 10.1016/0039-6028(88)90097-0 |
0.317 |
|
| 1986 |
Minot C, Bigot B, Hariti A. A theoretical study of successive hydrogenations of small platinum clusters. Structure and energetics Journal of the American Chemical Society. 108: 196-206. DOI: 10.1021/Ja00262A003 |
0.34 |
|
| 1986 |
Garfunkel EL, Minot C, Gavezzotti A, Simonetta M. Benzene adsorption on the Rh(111) metal surface: A theoretical study Surface Science. 167: 177-197. DOI: 10.1016/0039-6028(86)90793-4 |
0.684 |
|
| 1986 |
Garfunkel EL, Minot C. The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals Journal of Solid State Chemistry. 65: 72-78. DOI: 10.1016/0022-4596(86)90090-3 |
0.511 |
|
| 1986 |
MINOT C, BIGOT B, HARITI A. ChemInform Abstract: Theoretical Study of Successive Hydrogenations of Small Platinum Clusters: Structure and Energetics (extended Hückel calculations with and without spin-orbit coupling for Ptn (n: 2- 13)). Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198618002 |
0.31 |
|
| 1984 |
Hoffmann R, Minot C, Gray HB. A one-dimensional polymeric ribbon alternative to the aggregation of d8 ML4 fragments Journal of the American Chemical Society. 106: 2001-2005. DOI: 10.1021/Ja00319A019 |
0.319 |
|
| 1984 |
HOFFMANN R, MINOT C, GRAY HB. ChemInform Abstract: A ONE-DIMENSIONAL POLYMERIC RIBBON ALTERNATIVE TO THE AGGREGATION OF D8 ML4 FRAGMENTS Chemischer Informationsdienst. 15. DOI: 10.1002/Chin.198427069 |
0.314 |
|
| 1983 |
Minot C, Van Hove M, Somorjai G. A covalent model for the bonding of adsorbed hydrocarbon fragments on the (111) face of platinum Surface Science. 127: 441-460. DOI: 10.1016/0039-6028(83)90040-7 |
0.42 |
|
| 1982 |
Wolfe S, Mitchell D, Bernhard Schlegel H, Minot C, Eisenstein O. Theoretical studies of SN2 transition states, the alpha effect Tetrahedron Letters. 23: 615-618. DOI: 10.1016/S0040-4039(00)86904-X |
0.388 |
|
| 1980 |
Minot C, Kahn O, Salem L. Surface amplitude patterns: A symmetry-based description of metal surfaces approached by a substrate Surface Science. 94: 515-527. DOI: 10.1016/0039-6028(80)90023-0 |
0.654 |
|
| 1977 |
Minot C, Anh NT. Simple prediction of cycloaddition orientation Tetrahedron. 33: 533-537. DOI: 10.1016/S0040-4020(77)80011-2 |
0.317 |
|
| 1976 |
Eisenstein O, Lefour J, Minot C. Etude perturbationelle de la reactivite electrophile des carbonyles et fonctions analogues. Influence des substituants et de la complexation Tetrahedron Letters. 17: 1681-1684. DOI: 10.1016/S0040-4039(00)92922-8 |
0.437 |
|
| 1972 |
Bottin J, Eisenstein O, Minot C, Trong Anh N. Reduction 1,2 ou 1,4 de carbonyles conjugues par les hydrures. Une tentative d'explication. Tetrahedron Letters. 13: 3015-3018. DOI: 10.1016/S0040-4039(01)84997-2 |
0.736 |
|
| 1972 |
BOTTIN J, EISENSTEIN O, MINOT C, ANH NT. ChemInform Abstract: 1,2- UND 1,4-REDUKTION KONJUGIERTER CARBONYL-VERBINDUNGEN MIT HYDRIDEN, EINE DISKUSSION DER MECHANISMEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197243135 |
0.468 |
|
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