Lista de obras - Frank J J Leusen - Dominio Público Uruguay

A major advance in crystal structure prediction

artículo científico publicado en 2008

A test of crystal structure prediction of small organic molecules

article from 2000

Coformer Replacement as an Indicator for Thermodynamic Instability of Cocrystals: Competitive Transformation of Caffeine:Dicarboxylic Acid

Crystal Structure Prediction of a Flexible Molecule of Pharmaceutical Interest with Unusual Polymorphic Behavior

Crystal structure prediction and isostructurality of three small molecules

artículo científico publicado en 2010

Crystal structure prediction and isostructurality of three small organic halogen compounds

article

Crystal structure prediction of small organic molecules: a second blind test

article

Crystal structures of quinacridones

Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystals

artículo científico publicado en 2012

Experimental and theoretical investigations of the polymorphism of 5-chloroacetoxybenzoic acid (5-chloroaspirin)

Influence of Solvent on the Morphology and Subsequent Comminution of Ibuprofen Crystals by Air Jet Milling ⬇️

artículo científico publicado el 7 de diciembre de 2011

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs

artículo científico publicado en 2008

Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?

article

Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules

article

Predicting spontaneous racemate resolution using recent developments in crystal structure prediction

Predicting the Spontaneous Chiral Resolution by Crystallization of a Pair of Flexible Nitroxide Radicals

Prediction of the Mechanical Behaviour of Crystalline Solids

artículo científico publicado en 2011

Progress in crystal structure prediction

artículo científico publicado en 2011

Rationalization of Racemate Resolution: Predicting Spontaneous Resolution through Crystal Structure Prediction

Report on the sixth blind test of organic crystal structure prediction methods

artículo científico publicado en 2016

Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals

artículo científico publicado en 2009

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test

artículo científico publicado en 2009

Symmetry Breaking: Polymorphic Form Selection by Enantiomers of the Melatonin Agonist and Its Missing Polymorph

article published in 2012

Synthesis, Prediction, and Determination of Crystal Structures of (R/S)- and (S)-1,6-Dinitro-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dione

Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystals

Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test

artículo científico publicado en 2011

“In-Silico Seeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives

article published in 2013

Lista de obras de Frank J J Leusen

A major advance in crystal structure prediction

A test of crystal structure prediction of small organic molecules

Coformer Replacement as an Indicator for Thermodynamic Instability of Cocrystals: Competitive Transformation of Caffeine:Dicarboxylic Acid

Crystal Structure Prediction of a Flexible Molecule of Pharmaceutical Interest with Unusual Polymorphic Behavior

Crystal structure prediction and isostructurality of three small molecules

Crystal structure prediction and isostructurality of three small organic halogen compounds

Crystal structure prediction of small organic molecules: a second blind test

Crystal structures of quinacridones

Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystals

Experimental and theoretical investigations of the polymorphism of 5-chloroacetoxybenzoic acid (5-chloroaspirin)

Influence of Solvent on the Morphology and Subsequent Comminution of Ibuprofen Crystals by Air Jet Milling ⬇️

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs

Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?

Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules

Predicting spontaneous racemate resolution using recent developments in crystal structure prediction

Predicting the Spontaneous Chiral Resolution by Crystallization of a Pair of Flexible Nitroxide Radicals

Prediction of the Mechanical Behaviour of Crystalline Solids

Progress in crystal structure prediction

Rationalization of Racemate Resolution: Predicting Spontaneous Resolution through Crystal Structure Prediction

Report on the sixth blind test of organic crystal structure prediction methods

Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test

Symmetry Breaking: Polymorphic Form Selection by Enantiomers of the Melatonin Agonist and Its Missing Polymorph

Synthesis, Prediction, and Determination of Crystal Structures of (R/S)- and (S)-1,6-Dinitro-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dione

Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystals

Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test

“In-Silico Seeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives