Year |
Citation |
Score |
2020 |
Redondo P, Pauzat F, Ellinger Y, Markovits A. Reconstruction of water ice: the neglected process OH + OH → H2O + O Astronomy & Astrophysics. 638: A125. DOI: 10.1051/0004-6361/202037771 |
0.34 |
|
2020 |
Ellinger Y, Pauzat F, Markovits A, Allaire A, Guillemin J. The quest of chirality in the interstellar medium Astronomy & Astrophysics. 633: A49. DOI: 10.1051/0004-6361/201936901 |
0.373 |
|
2018 |
Ozgurel O, Mousis O, Pauzat F, Ellinger Y, Markovits A, Vance S, Leblanc F. Sodium, Potassium, and Calcium in Europa: An Atomic Journey through Water Ice The Astrophysical Journal. 865: L16. DOI: 10.3847/2041-8213/Aae091 |
0.333 |
|
2017 |
Bertin M, Doronin M, Michaut X, Philippe L, Markovits A, Fillion J, Pauzat F, Ellinger Y, Guillemin J. Nitrile versus isonitrile adsorption at interstellar grain surfaces Astronomy & Astrophysics. 608: A50. DOI: 10.1051/0004-6361/201731144 |
0.528 |
|
2017 |
Bertin M, Doronin M, Fillion J, Michaut X, Philippe L, Lattelais M, Markovits A, Pauzat F, Ellinger Y, Guillemin J. Nitrile versus isonitrile adsorption at interstellar grains surfaces Astronomy & Astrophysics. 598: A18. DOI: 10.1051/0004-6361/201629394 |
0.488 |
|
2016 |
Guo Y, Li JF, Niu X, Markovits A, Zhang RQ. Composition dependent reactivity of titanium oxide clusters. Physical Chemistry Chemical Physics : Pccp. PMID 27035360 DOI: 10.1039/C5Cp07425H |
0.361 |
|
2015 |
Pauzat F, Marloie G, Markovits A, Ellinger Y. Global versus local adsorption selectivity International Journal of Astrobiology. DOI: 10.1017/S1473550415000087 |
0.375 |
|
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 |
0.624 |
|
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 |
0.585 |
|
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 |
0.711 |
|
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 |
0.59 |
|
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 |
0.617 |
|
2012 |
Naitabdi A, Bournel F, Gallet JJ, Markovits A, Rochet F, Borensztein Y, Silly MG, Sirotti F. Triethylamine on Si(001)-(2 × 1) at 300 K: Molecular adsorption and site configurations leading to dissociation Journal of Physical Chemistry C. 116: 16473-16486. DOI: 10.1021/Jp303002C |
0.448 |
|
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 |
0.562 |
|
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 |
0.633 |
|
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 |
0.725 |
|
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 |
0.635 |
|
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 |
0.722 |
|
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 |
0.586 |
|
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 |
0.612 |
|
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 |
0.545 |
|
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 |
0.644 |
|
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 |
0.689 |
|
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 |
0.695 |
|
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 |
0.657 |
|
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 |
0.678 |
|
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 |
0.693 |
|
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 |
0.57 |
|
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 |
0.75 |
|
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 |
0.768 |
|
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 |
0.74 |
|
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 |
0.655 |
|
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 |
0.769 |
|
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 |
0.706 |
|
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 |
0.616 |
|
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 |
0.63 |
|
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 |
0.77 |
|
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 |
0.626 |
|
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 |
0.64 |
|
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 |
0.774 |
|
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 |
0.682 |
|
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 |
0.629 |
|
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 |
0.606 |
|
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 |
0.697 |
|
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 |
0.389 |
|
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 |
0.645 |
|
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 |
0.503 |
|
1999 |
Markovits A, García-Hernández M, Ricart JM, Illas F. Theoretical study of bonding of carbon trioxide and carbonate on Pt(111): Relevance to the interpretation of "in Situ" vibrational spectroscopy Journal of Physical Chemistry B. 103: 509-518. DOI: 10.1021/Jp984016B |
0.4 |
|
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 |
0.682 |
|
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. |
0.36 |
|
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 |
0.592 |
|
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 |
0.642 |
|
1997 |
Markovits A, Ahdjoudj J, Minot C. Molecular Engineering. 7: 245-261. DOI: 10.1023/A:1008290700873 |
0.424 |
|
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 |
0.657 |
|
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 |
0.66 |
|
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 |
0.653 |
|
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 |
0.659 |
|
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 |
0.666 |
|
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