Delhommelle, J.: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Nucleation and growth of C[sub 60] nanoparticles from the supersaturated vapor and from the undercooled liquid: A molecular simulation study

Ngale, Kenneth Ndumbe, Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

2

Guest editorial: Recent developments in molecular simulation

Delhommelle, J.

Journal:

Molecular Simulation

Year:

2007

Language:

english

File:

PDF, 62 KB

english, 2007

3

On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H 2 S-pentane mixture

DELHOMMELLE, JÉRÔME, MILLIÉ, PHILIPPE, FUCHS, ALAIN H.

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 986 KB

english, 2000

4

Recent advances in the molecular simulation of chemical reactions

Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 48 KB

english, 2015

5

Free energy calculations along entropic pathways. III. Nucleation of capillary bridges and bubbles

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 14.88 MB

english, 2017

6

Unusual Crystallization Behavior Close to the Glass Transition

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Physical Review Letters

Year:

2018

Language:

english

File:

PDF, 820 KB

english, 2018

7

Polymorph selection during the crystallization of iron under the conditions of Earth’s inner core

John Persson, Caroline Desgranges, Jerome Delhommelle

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 534 KB

english, 2011

8

Vapor–liquid equilibria of copper using hybrid Monte Carlo Wang—Landau simulations

T. Aleksandrov, C. Desgranges, J. Delhommelle

Journal:

Fluid Phase Equilibria

Year:

2010

Language:

english

File:

PDF, 410 KB

english, 2010

9

A molecular dynamics study of homogeneous crystal nucleation in liquid nitrogen

J.-M. Leyssale, J. Delhommelle, C. Millot

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 245 KB

english, 2003

10

Influence of temperature, pressure and internal degrees of freedom on hydrogen bonding and diffusion in liquid ethanol

Janka Petravic, Jérôme Delhommelle

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 187 KB

english, 2003

11

Nonequilibrium Molecular Dynamics Simulations of Molten Sodium Chloride

J. Petravic, J. Delhommelle

Journal:

International Journal of Thermophysics

Year:

2004

Language:

english

File:

PDF, 221 KB

english, 2004

12

Monte Carlo simulations of squalane in the Gibbs ensemble

B. Neubauer, J. Delhommelle, A. Boutin, B. Tavitian, A.H. Fuchs

Journal:

Fluid Phase Equilibria

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

13

Onset of shear thickening in a simple fluid

Journal:

The European Physical Journal E

Year:

2004

Language:

english

File:

PDF, 411 KB

english, 2004

14

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. I. Thermodynamic properties in the bulk and at the liquid-vapor phase boundary

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 907 KB

english, 2012

15

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 921 KB

english, 2012

16

Poiseuille flow of a micropolar fluid

DELHOMMELLE, JEROME, EVANS, DENIS J.

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 729 KB

english, 2002

17

Prediction of critical properties for Naphthacene, Triphenylene and Chrysene by Wang–Landau simulations

C. Desgranges, K. Ndumbe Ngale, J. Delhommelle

Journal:

Fluid Phase Equilibria

Year:

2012

Language:

english

File:

PDF, 504 KB

english, 2012

18

Selectivity, Cocrystal Structures, and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B

Tahtouh, Tania, Elkins, Jonathan M., Filippakopoulos, Panagis, Soundararajan, Meera, Burgy, Guillaume, Durieu, Emilie, Cochet, Claude, Schmid, Ralf S., Lo, Donald C., Delhommel, Florent, Oberholzer, A

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.30 MB

english, 2012

19

Structure and thermodynamics of the expanded liquid mercury by Monte Carlo simulation: a first attempt

Jean-Marc Bomont, Jérôme Delhommelle, Jean-Louis Bretonnet

Journal:

Journal of Non-Crystalline Solids

Year:

2007

Language:

english

File:

PDF, 234 KB

english, 2007

20

Configurational temperature profile in confined fluids. I. Atomic fluid

Delhommelle, Jerome, Evans, Denis J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 351 KB

english, 2001

21

Crystal nucleation and growth from supercooled melts

Delhommelle, J.

Journal:

Molecular Simulation

Year:

2011

Language:

english

File:

PDF, 266 KB

english, 2011

22

Molecular Simulation of the Nucleation and Growth of Gold Nanoparticles

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 666 KB

english, 2009

23

Numerical estimate for boiling points via Wang–Landau simulations

Aleksandrov, T., Desgranges, C., Delhommelle, J.

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 159 KB

english, 2012

24

Phase equilibria of molecular fluids via hybrid Monte Carlo Wang–Landau simulations: Applications to benzene and n-alkanes

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 442 KB

english, 2009

25

Optimisation of multiple time-step hybrid Monte Carlo Wang–Landau simulations in the isobaric–isothermal ensemble for the determination of phase equilibria

Desgranges, C., Kastl, E.A., Aleksandrov, T., Delhommelle, J.

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 185 KB

english, 2010

26

Molecular simulation of the crystallization of aluminum from the supercooled liquid

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 941 KB

english, 2007

27

Configurational temperature profile in confined fluids. II. Molecular fluids

Delhommelle, Jerome, Evans, Denis J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 403 KB

english, 2001

28

Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation

DELHOMMELLE, JÉRÔME, MILLIÉ, PHILIPPE

Journal:

Molecular Physics

Year:

2001

Language:

english

File:

PDF, 542 KB

english, 2001

29

Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang–Landau simulations

Desgranges, C., Hicks, J.M., Magness, A., Delhommelle, J.

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 459 KB

english, 2010

30

New developments in molecular simulation

Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 61 KB

english, 2012

31

Reorganization and Growth of Metastable α-N 2 Critical Nuclei into Stable β-N 2 Crystals

Leyssale, Jean-Marc, Delhommelle, Jerome, Millot, Claude

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 213 KB

english, 2004

32

Hydrogen bonding in ethanol under shear

Petravic, Janka, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 394 KB

english, 2005

33

Polymorph selection during the crystallization of Yukawa systems

Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.93 MB

english, 2007

34

Optimization of the anisotropic united atoms intermolecular potential for n-alkanes

Ungerer, Philippe, Beauvais, Christèle, Delhommelle, Jérôme, Boutin, Anne, Rousseau, Bernard, Fuchs, Alain H.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 516 KB

english, 2000

35

Recent advances in the molecular simulation of adsorption

Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 62 KB

english, 2014

36

Unraveling the Coupling between Demixing and Crystallization in Mixtures

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.57 MB

english, 2014

37

Characterization and Comparison of the Performance of IRMOF-1, IRMOF-8, and IRMOF-10 for CO 2 Adsorption in the Subcritical and Supercritical Regimes

Hicks, Jason M., Desgranges, Caroline, Delhommelle, Jerome

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.73 MB

english, 2012

38

Polymorph Selection during the Crystallization of Softly Repulsive Spheres: The Inverse Power Law Potential

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 321 KB

english, 2007

39

Molecular Mechanism for the Cross-Nucleation between Polymorphs

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 99 KB

english, 2006

40

Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols

Delhommelle, J., Tschirwitz, C., Ungerer, P., Granucci, G., Millié, P., Pattou, D., Fuchs, A. H.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 100 KB

english, 2000

41

Thermodynamics of Phase Coexistence and Metal–Nonmetal Transition in Mercury: Assessment of Effective Potentials via Expanded Wang–Landau Simulations

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

42

Molecular Insight into the Pathway to Crystallization of Aluminum

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 186 KB

english, 2007

43

Recent advances in molecular simulation

Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2008

Language:

english

File:

PDF, 58 KB

english, 2008

44

Molecular Simulation of Cross-Nucleation between Polymorphs

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 302 KB

english, 2007

45

Accurate determination of normal stress differences via transient-time correlation function – non-equilibrium molecular dynamics (TTCF–NEMD) simulations

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2009

Language:

english

File:

PDF, 173 KB

english, 2009

46

Role of Liquid Polymorphism during the Crystallization of Silicon

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 2.23 MB

english, 2011

47

Estimating the conductivity of a nanoconfined liquid subjected to an experimentally accessible external field

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2008

Language:

english

File:

PDF, 149 KB

english, 2008

48

Configurational thermostats for molecular systems

LUE, L., JEPPS, O. G., DELHOMMELLE, J., EVANS, D. J.

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 717 KB

english, 2002

49

Insights into the Molecular Mechanism Underlying Polymorph Selection

Desgranges, Caroline, Delhommelle, Jerome

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 118 KB

english, 2006

50

Recent advances in molecular simulation

Delhommelle, Jerome

Journal:

Molecular Simulation

Year:

2011

Language:

english

File:

PDF, 59 KB

english, 2011