Jean-Marc Leyssale
Jean-Marc Leyssale
CNRS
Verified email at u-bordeaux.fr
Title
Cited by
Cited by
Year
Computer simulation of Cl− hydration in anion–water clusters
SV Shevkunov, SI Lukyanov, JM Leyssale, C Millot
Chemical physics 310 (1-3), 97-107, 2005
892005
Structural features of pyrocarbon atomistic models constructed from transmission electron microscopy images
JM Leyssale, JP Da Costa, C Germain, P Weisbecker, GL Vignoles
Carbon 50 (12), 4388-4400, 2012
502012
Sorption thermodynamics of CO2, CH4, and their mixtures in the ITQ-1 zeolite as revealed by molecular simulations
JM Leyssale, GK Papadopoulos, DN Theodorou
The Journal of Physical Chemistry B 110 (45), 22742-22753, 2006
402006
Atomistic simulation of the homogeneous nucleation and of the growth of crystallites
JM Leyssale, J Delhommelle, C Millot
The Journal of chemical physics 122 (10), 104510, 2005
402005
An image-guided atomistic reconstruction of pyrolytic carbons
JM Leyssale, JP Da Costa, C Germain, P Weisbecker, GL Vignoles
Applied Physics Letters 95 (23), 231912, 2009
352009
Structure of an amorphous boron carbide film: An experimental and computational approach
C Pallier, JM Leyssale, LA Truflandier, AT Bui, P Weisbecker, C Gervais, ...
Chemistry of Materials 25 (13), 2618-2629, 2013
342013
Molecular dynamics evidences of the full graphitization of a nanodiamond annealed at 1500 K
JM Leyssale, GL Vignoles
Chemical Physics Letters 454 (4-6), 299-304, 2008
342008
Formation of multiwall fullerenes from nanodiamonds studied by atomistic simulations
JH Los, N Pineau, G Chevrot, G Vignoles, JM Leyssale
Physical Review B 80 (15), 155420, 2009
332009
Reorganization and growth of metastable α-N2 critical nuclei into stable β-N2 crystals
JM Leyssale, J Delhommelle, C Millot
Journal of the American Chemical Society 126 (39), 12286-12287, 2004
332004
Nanoscale structure and texture of highly anisotropic pyrocarbons revisited with transmission electron microscopy, image processing, neutron diffraction and atomistic modeling
B Farbos, P Weisbecker, HE Fischer, JP Da Costa, M Lalanne, G Chollon, ...
Carbon 80, 472-489, 2014
312014
A large-scale molecular dynamics study of the divacancy defect in graphene
JM Leyssale, GL Vignoles
The Journal of Physical Chemistry C 118 (15), 8200-8216, 2014
292014
Microstructure of pyrocarbons from pair distribution function analysis using neutron diffraction
P Weisbecker, JM Leyssale, HE Fischer, V Honkimäki, M Lalanne, ...
Carbon 50 (4), 1563-1573, 2012
282012
Molecular simulation of the homogeneous crystal nucleation of carbon dioxide
JM Leyssale, J Delhommelle, C Millot
The Journal of chemical physics 122 (18), 184518, 2005
272005
A molecular dynamics study of homogeneous crystal nucleation in liquid nitrogen
JM Leyssale, J Delhommelle, C Millot
Chemical physics letters 375 (5-6), 612-618, 2003
272003
Hit and miss of classical nucleation theory as revealed by a molecular simulation study of crystal nucleation in supercooled sulfur hexafluoride
JM Leyssale, J Delhommelle, C Millot
The Journal of chemical physics 127 (4), 044504, 2007
252007
On the prediction of graphene’s elastic properties with reactive empirical bond order potentials
A Gamboa, GL Vignoles, JM Leyssale
Carbon 89, 176-187, 2015
212015
Investigating carbon materials nanostructure using image orientation statistics
JP Da Costa, P Weisbecker, B Farbos, JM Leyssale, GL Vignoles, ...
Carbon 84, 160-173, 2015
212015
Hindered rotor models with variable kinetic functions for accurate thermodynamic and kinetic predictions
G Reinisch, JM Leyssale, GL Vignoles
The Journal of chemical physics 133 (15), 154112, 2010
162010
Molecular dynamics of carbon dioxide, methane and their mixtures in a zeolite possessing two independent pore networks as revealed by computer simulations
M Sant, JM Leyssale, GK Papadopoulos, DN Theodorou
The Journal of Physical Chemistry B 113 (42), 13761-13767, 2009
162009
CO2 leakage alters biogeochemical and ecological functions of submarine sands
M Molari, K Guilini, C Lott, M Weber, D de Beer, S Meyer, A Ramette, ...
Science advances 4 (2), eaao2040, 2018
132018
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