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Prediction of Crystal–Solvent Interactions in a Supercritical Medium: A Possible Way to Control Crystal Habit at High Supersaturations with Molecular Modeling

Crystal growth & design, 2020-10, Vol.20 (10), p.6863-6876

2020

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Investigation of crystallization mechanisms for polymorphic and habit control from the Supercritical AntiSolvent process

The Journal of supercritical fluids, 2018-11, Vol.141, p.29-38

2018

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Structure elucidation of a complex CO2-based organic framework material by NMR crystallography

Chemical science (Cambridge), 2016-01, Vol.7 (7), p.4379-4390

2016

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Single Molecule Probing of the Local Segmental Relaxation Dynamics in Polymer above the Glass Transition Temperature

Journal of the American Chemical Society, 2009-09, Vol.131 (34), p.12201-12210

2009

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Predicting crystal structure and habit of organic micro-crystals by experimentally assisted molecular modelling (EAMM). The case of n-octylamino-NBD

Journal of crystal growth, 2011-10, Vol.333 (1), p.25-35

2011

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Measuring Enthalpy of Sublimation for Active Pharmaceutical Ingredients: Validate Crystal Energy and Predict Crystal Habit

Crystal growth & design, 2009-11, Vol.9 (11), p.4706-4709

2009

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Benzylic-type couplings provide an important asymmetric entry to functionalized, non-racemic helicenes

RSC advances, 2014-01, Vol.4 (61), p.32412-32414

2014

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Multivalent, Sulfur-Rich PyBox Asterisk Ligands in Asymmetric Metal Catalysis

European journal of organic chemistry, 2012-11, Vol.2012 (31), p.6145-6154

2012

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Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenylethynyl)-2,2- diphenyl- 2H-1-benzopyran, C33H29NO

Zeitschrift für Kristallographie. New crystal structures, 2012-12, Vol.227 (4), p.505-506

2012

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Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenyl)-2,2- diphenyl-2H-1-benzopyran, C34H36NO

Zeitschrift für Kristallographie. New crystal structures, 2012-12, Vol.227 (4), p.507-508

2012

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Resistance of hepatitis C virus to NS3-4A protease inhibitors : mechanisms of drug resistance induced by R155Q, A156T, D168A and D168V mutations

Antiviral therapy, 2006-01, Vol.11 (7), p.847-855

2006

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A New Tetratertiary Phosphine Ligand and Its Use in Pd-Catalyzed Allylic Substitution

Journal of organic chemistry, 2001-03, Vol.66 (5), p.1633-1637

2001

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Mass and momentum interface equilibrium by molecular modeling. Simulating AFM adhesion between (120) gypsum faces in a saturated solution and consequences on gypsum cohesion

Cement and concrete research, 2008-03, Vol.38 (3), p.290-299

2008

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Synthesis of heterocyclic chromenes via Buchwald C–N coupling and the substituent effect on their photochromic properties

Tetrahedron, 2008-10, Vol.64 (42), p.9977-9982

2008

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Crystal structure of trichloro(1'-isopropyl-8-methoxy-3',3'-dimethyl-6- nitro-1',3'-dihydrospiro[chromene-2,2'-indole])antimony(III), SbCl3(C22H24N2O4)

Zeitschrift für Kristallographie. New crystal structures, 2011-01, Vol.226 (1), p.71-72

2011

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The influence of additives on the crystal habit of gibbsite

Journal of crystal growth, 1999, Vol.196 (1), p.174-180

1999

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Investigation of crystallization mechanisms for polymorphic and habit control from the Supercritical AntiSolvent process

The Journal of supercritical fluids, 2018-11, Vol.141, p.29-38

2018

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Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenyl)-2,2-diphen- yl-2H-1-benzopyran, C34H36NO

Zeitschrift für Kristallographie. New crystal structures, 2012-12, Vol.227 (4), p.507-508

Pèpe, Gérard

2012

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Hydration free energy a fragmental model and drug design

European journal of medicinal chemistry, 2002-11, Vol.37 (11), p.865-872

2002

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Synthesis and unexpected photochemical behaviour of biphotochromic systems involving spirooxazines and naphthopyrans linked by an ethylenic bridge

Tetrahedron, 2001-08, Vol.57 (34), p.7349-7359

2001

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Pharmaceutical Compound Crystallization: Growth Mechanism of Needle-Like Crystals

Chemical engineering & technology, 2006-02, Vol.29 (2), p.239-246

2006

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Spectrokinetic study of a series of photochromic 2-ferrocenyl-2-methyl[2H]-chromenes

Journal of photochemistry and photobiology. A, Chemistry., 2003-03, Vol.156 (1), p.77-82

2003

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6‐Bromo‐2,2‐diphenyl‐2H‐1‐benzopyran

Acta crystallographica. Section E, Structure reports online, 2007-07, Vol.63 (7), p.o3340-o3340

2007

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6‐Bromo‐5,8‐dimethyl‐2,2‐diphenyl‐2H‐1‐benzopyran

Acta crystallographica. Section E, Structure reports online, 2007-07, Vol.63 (7), p.o3341-o3341

2007

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Structure elucidation of a complex CO2-based organic framework material by NMR crystallographyElectronic supplementary information (ESI) available: Experimental procedures, spectra, modelled data and structures. See DOI: 10.1039/c5sc03810c

2016-06

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Prediction of Crystal–Solvent Interactions in a Supercritical Medium: A Possible Way to Control Crystal Habit at High Supersaturations with Molecular Modeling

Investigation of crystallization mechanisms for polymorphic and habit control from the Supercritical AntiSolvent process

Structure elucidation of a complex CO2-based organic framework material by NMR crystallography

Single Molecule Probing of the Local Segmental Relaxation Dynamics in Polymer above the Glass Transition Temperature

Predicting crystal structure and habit of organic micro-crystals by experimentally assisted molecular modelling (EAMM). The case of n-octylamino-NBD

Measuring Enthalpy of Sublimation for Active Pharmaceutical Ingredients: Validate Crystal Energy and Predict Crystal Habit

Benzylic-type couplings provide an important asymmetric entry to functionalized, non-racemic helicenes

Multivalent, Sulfur-Rich PyBox Asterisk Ligands in Asymmetric Metal Catalysis

Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenylethynyl)-2,2- diphenyl- 2H-1-benzopyran, C33H29NO

Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenyl)-2,2- diphenyl-2H-1-benzopyran, C34H36NO

Resistance of hepatitis C virus to NS3-4A protease inhibitors : mechanisms of drug resistance induced by R155Q, A156T, D168A and D168V mutations

A New Tetratertiary Phosphine Ligand and Its Use in Pd-Catalyzed Allylic Substitution

Mass and momentum interface equilibrium by molecular modeling. Simulating AFM adhesion between (120) gypsum faces in a saturated solution and consequences on gypsum cohesion

Synthesis of heterocyclic chromenes via Buchwald C–N coupling and the substituent effect on their photochromic properties

Crystal structure of trichloro(1'-isopropyl-8-methoxy-3',3'-dimethyl-6- nitro-1',3'-dihydrospiro[chromene-2,2'-indole])antimony(III), SbCl3(C22H24N2O4)

The influence of additives on the crystal habit of gibbsite

Investigation of crystallization mechanisms for polymorphic and habit control from the Supercritical AntiSolvent process

Crystal structure of 5,8-dimethyl-6-(p-dimethylaminophenyl)-2,2-diphen- yl-2H-1-benzopyran, C34H36NO

Hydration free energy a fragmental model and drug design

Synthesis and unexpected photochemical behaviour of biphotochromic systems involving spirooxazines and naphthopyrans linked by an ethylenic bridge

Pharmaceutical Compound Crystallization: Growth Mechanism of Needle-Like Crystals

Spectrokinetic study of a series of photochromic 2-ferrocenyl-2-methyl[2H]-chromenes

6‐Bromo‐2,2‐diphenyl‐2H‐1‐benzopyran

6‐Bromo‐5,8‐dimethyl‐2,2‐diphenyl‐2H‐1‐benzopyran

Structure elucidation of a complex CO2-based organic framework material by NMR crystallographyElectronic supplementary information (ESI) available: Experimental procedures, spectra, modelled data and structures. See DOI: 10.1039/c5sc03810c

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