| First solvation shell of the Cu (II) aqua ion: evidence for fivefold coordination A Pasquarello, I Petri, PS Salmon, O Parisel, R Car, É Tóth, DH Powell, ... Science 291 (5505), 856-859, 2001 | 424 | 2001 |
| Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy … TA Wesolowski, O Parisel, Y Ellinger, J Weber The Journal of Physical Chemistry A 101 (42), 7818-7825, 1997 | 245 | 1997 |
| Electronic and vibrational spectra of matrix isolated anthracene radical cations: Experimental and theoretical aspects J Szczepanski, M Vala, D Talbi, O Parisel, Y Ellinger The Journal of chemical physics 98 (6), 4494-4511, 1993 | 183 | 1993 |
| Electronic and vibrational spectra of matrix-isolated pyrene radical cations: theoretical and experimental aspects M Vala, J Szczepanski, F Pauzat, O Parisel, D Talbi, Y Ellinger The Journal of Physical Chemistry 98 (37), 9187-9196, 1994 | 153 | 1994 |
| A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution JP Piquemal, A Marquez, O Parisel, C Giessner–Prettre Journal of computational chemistry 26 (10), 1052-1062, 2005 | 119 | 2005 |
| Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory E Gloaguen, B De Courcy, JP Piquemal, J Pilmé, O Parisel, R Pollet, ... Journal of the American Chemical Society 132 (34), 11860-11863, 2010 | 85 | 2010 |
| Simple formulas for improved point‐charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding GA Cisneros, SNI Tholander, O Parisel, TA Darden, D Elking, L Perera, ... International journal of quantum chemistry 108 (11), 1905-1912, 2008 | 72 | 2008 |
| What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? JP Piquemal, J Pilmé, O Parisel, H Gérard, I Fourré, J Berges, ... International Journal of Quantum Chemistry 108 (11), 1951-1969, 2008 | 70 | 2008 |
| Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. 1. Application to blood coagulation: Direct cation− protein … B De Courcy, LG Pedersen, O Parisel, N Gresh, B Silvi, J Pilmé, ... Journal of chemical theory and computation 6 (4), 1048-1063, 2010 | 67 | 2010 |
| Is an electronic shield at the molecular origin of lead poisoning? A computational modeling experiment C Gourlaouen, O Parisel Angewandte Chemie (International Ed. in English) 46 (4), 553-556, 2007 | 62 | 2007 |
| Rapid synthesis of quinoline-4-carboxylic acid derivatives from arylimines and 2-substituted acrylates or acrylamides under indium (III) chloride and microwave activations … D Duvelleroy, C Perrio, O Parisel, MC Lasne Organic & biomolecular chemistry 3 (20), 3794-3804, 2005 | 54 | 2005 |
| Exploring the Hydration of Pb2+: Ab Initio Studies and First‐Principles Molecular Dynamics C Gourlaouen, H Gérard, O Parisel Chemistry–A European Journal 12 (19), 5024-5032, 2006 | 51 | 2006 |
| Revisiting the geometry of nd10 (n+ 1) s0 [M (H2O)] p+ complexes using four‐component relativistic DFT calculations and scalar relativistic correlated CSOV energy … C Gourlaouen, JP Piquemal, T Saue, O Parisel Journal of computational chemistry 27 (2), 142-156, 2006 | 48 | 2006 |
| Multinuclear NMR study of the aggregates between methyllithium and lithium bromide in toluene S Desjardins, K Flinois, H Oulyadi, D Davoust, C Giessner-Prettre, ... Organometallics 22 (20), 4090-4097, 2003 | 46 | 2003 |
| Long distance electron-transfer mechanism in peptidylglycine α-hydroxylating monooxygenase: A perfect fitting for a water bridge A de la Lande, S Martí, O Parisel, V Moliner Journal of the American Chemical Society 129 (38), 11700-11707, 2007 | 44 | 2007 |
| Understanding Lead Chemistry from Topological Insights: The Transition between Holo‐ and Hemidirected Structures within the [Pb(CO)n]2+ Model Series C Gourlaouen, H Gérard, JP Piquemal, O Parisel Chemistry–A European Journal 14 (9), 2730-2743, 2008 | 43 | 2008 |
| Multipoint molecular recognition within a calix [6] arene funnel complex D Coquière, A de la Lande, S Martí, O Parisel, T Prangé, O Reinaud Proceedings of the National Academy of Sciences 106 (26), 10449-10454, 2009 | 42 | 2009 |
| Theoretical Exploration of the Oxidative Properties of a [(trenMe1)CuO2]+ Adduct Relevant to Copper Monooxygenase Enzymes: Insights into Competitive … A de la Lande, O Parisel, H Gérard, V Moliner, O Reinaud Chemistry–A European Journal 14 (21), 6465-6473, 2008 | 41 | 2008 |
| Theoretical modelling of tripodal CuN3 and CuN4 cuprous complexes interacting with O2, CO or CH3CN A de la Lande, H Gérard, V Moliner, G Izzet, O Reinaud, O Parisel JBIC Journal of Biological Inorganic Chemistry 11, 593-608, 2006 | 39 | 2006 |
| New clues for ionized polycyclic aromatic hydrocarbons as possible carriers of diffuse interstellar bands O Parisel, G Berthier, Y Ellinger Astronomy and Astrophysics (ISSN 0004-6361), vol. 266, no. 1, p. L1-L4. 266 …, 1992 | 37 | 1992 |
