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Alexis Markovits, Ph.D. - Publications

Affiliations: 
Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Area:
Theoretical Chemistry
Website:
http://www.lct.jussieu.fr/pagesperso/alexis
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58 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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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