An evaluation of the MM+ force field A Hocquet, M Langgård Molecular modeling annual 4, 94-112, 1998 | 146 | 1998 |
Ground-state properties of nucleic acid constituents studied by density functional calculations. 3. Role of sugar puckering and base orientation on the energetics and geometry … A Hocquet, N Leulliot, M Ghomi The Journal of Physical Chemistry B 104 (18), 4560-4568, 2000 | 114 | 2000 |
Intramolecular hydrogen bonding in 2′-deoxyribonucleosides: an AIM topological study of the electronic density A Hocquet Physical Chemistry Chemical Physics 3 (15), 3192-3199, 2001 | 87 | 2001 |
A conceptual DFT study of hydrazino peptides: assessment of the nucleophilicity of the nitrogen atoms by means of the dual descriptor Δf (r) C Morell, A Hocquet, A Grand, B Jamart-Grégoire Journal of Molecular Structure: THEOCHEM 849 (1-3), 46-51, 2008 | 63 | 2008 |
The peculiar role of cytosine in nucleoside conformational behaviour: hydrogen bond donor capacity of nucleic bases A Hocquet, M Ghomi Physical Chemistry Chemical Physics 2 (23), 5351-5353, 2000 | 53 | 2000 |
Intramolecular interactions along the reaction path of keto–enol tautomerism: Fukui functions as local softnesses and charges as local hardnesses A Hocquet, A Toro-Labbé, H Chermette Journal of Molecular Structure: THEOCHEM 686 (1-3), 213-218, 2004 | 47 | 2004 |
Interaction of sodium and potassium ions with sandwiched cytosine‐, guanine‐, thymine‐, and uracil‐base tetrads M Meyer, A Hocquet, J Sühnel Journal of computational chemistry 26 (4), 352-364, 2005 | 42 | 2005 |
Influence of the gelator structure and solvent on the organisation and chirality of self-assembling fibrillar networks QN Pham, N Brosse, C Frochot, D Dumas, A Hocquet, B Jamart-Grégoire New Journal of Chemistry 32 (7), 1131-1139, 2008 | 40 | 2008 |
Guanine tetrads interacting with metal ions. An AIM topological analysis of the electronic density G Louit, A Hocquet, M Ghomi, M Meyer, J Sühnel PhysChemComm 6 (1), 1-5, 2003 | 38 | 2003 |
Are guanine tetrads stabilised by bifurcated hydrogen bonds? An AIM topological analysis of the electronic density G Louit, A Hocquet, M Ghomi, M Meyer, J Sühnel PhysChemComm 5 (15), 94-98, 2002 | 38 | 2002 |
Wikipédia, objet scientifique non identifié L Merzeau, V Schafer, L Barbe Presses universitaires de Paris Nanterre, 2021 | 36 | 2021 |
Intramolecular hydrogen bonding in ribonucleosides: an AIM topological study of the electronic density G Louit, A Hocquet, M Ghomi Physical Chemistry Chemical Physics 4 (15), 3843-3848, 2002 | 35 | 2002 |
Epistemic issues in computational reproducibility: software as the elephant in the room A Hocquet, F Wieber European Journal for Philosophy of Science 11 (2), 38, 2021 | 21 | 2021 |
N′‐(3‐Amino‐1H‐isoindol‐1‐ylidene)‐R‐carbohydrazides and Their Amide‐Type Isomerism OV Hordiyenko, AV Biitseva, MY Kornilov, N Brosse, A Hocquet, ... European journal of organic chemistry 2006 (12), 2833-2842, 2006 | 16 | 2006 |
Grand and Jamart-Gregoire, B.(2008) A Conceptual DFT Study of Hydrazino Peptides: Assessment of the Nucleophilicity of the Nitrogen Atoms by Means of the Dual Descriptor∆ f (r) C Morell, A Hocquet Journal of Molecular Structure: THEOCHEM 849, 46-51, 0 | 16 | |
Mailing list archives as useful primary sources for historians: looking for flame wars A Hocquet, F Wieber Internet Histories 2 (1-2), 38-54, 2018 | 14 | 2018 |
“Only the initiates will have the secrets revealed”: computational chemists and the openness of scientific software A Hocquet, F Wieber IEEE Annals of the History of Computing 39 (4), 40-58, 2017 | 11 | 2017 |
L‐nucleotides and 8‐methylguanine of d(C1m8G2C3G4C5LG6LC7G8C9G10)2 act cooperatively to promote a left‐handed helix under … I Cherrak, O Mauffret, F Santamaria, A Hocquet, M Ghomi, B Rayner, ... Nucleic acids research 31 (23), 6986-6995, 2003 | 10 | 2003 |
Dynamic behavior of a perfunctionalized β-cyclodextrin as probed by NMR and molecular modeling L Catoire, V Michon, L Monville, A Hocquet, L Jullien, J Canceill, JM Lehn, ... Carbohydrate research 303 (4), 379-393, 1997 | 10 | 1997 |
Synthesis and Spectroscopic Study of Plant Growth Regulators Phenylpyridylureas: An" Agrorganic" Undergraduate Laboratory Experiment A Hocquet, J Tohier, J Fournier Journal of Chemical Education 71 (12), 1092, 1994 | 10 | 1994 |