Leusen, Frank J. J.: search on Z-Library

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1

Racemate resolution via crystallization of diastereomeric salts: thermodynamic considerations and molecular mechanics calculations

Frank J.J. Leusen, Jan H. Noordik, Heinrich R. Karfunkel

Journal:

Year:

1993

Language:

english

File:

PDF, 1.21 MB

english, 1993

2

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

H. C. Stephen Chan, Dr. John Kendrick, Dr. Frank J. J. Leusen

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 377 KB

english, 2011

3

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

Gourlay, Matthew D., Kendrick, John, Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2007

Language:

english

File:

PDF, 207 KB

english, 2007

4

A Major Advance in Crystal Structure Prediction

Marcus A. Neumann, Frank J. J. Leusen, John Kendrick

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 462 KB

english, 2008

5

The ab initio prediction of yet unknown molecular crystal structures by solving the crystal packing problem

Heinrich R. Karfunkel, Frank J. J. Leusen, Robert J. Gdanitz

Journal:

Scientific Modeling and Simulation SMNS

Year:

1994

Language:

english

File:

PDF, 2.21 MB

english, 1994

6

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

Stephenson, Gregory A., Kendrick, John, Wolfangel, Craig, Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

7

Influence of solvent on the morphology and subsequent comminution of ibuprofen crystals by air jet milling

Mohammad H. Shariare, Nicholas Blagden, Marcel de Matas, Frank J. J. Leusen, Peter York

Journal:

Journal of Pharmaceutical Sciences

Year:

2012

Language:

english

File:

PDF, 538 KB

english, 2012

8

Crystal structure prediction and isostructurality of three small organic halogen compounds

Asmadi, Aldi, Kendrick, John, Leusen, Frank J. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.57 MB

english, 2010

9

Crystal Structure Prediction of Diastereomeric Salts: A Step toward Rationalization of Racemate Resolution

Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2003

Language:

english

File:

PDF, 42 KB

english, 2003

10

Computational chemistry applied to the design of chiral stationary phases for enantiomeric separation

Richard Däppen, Heinrich R. Karfunkel, Frank J. J. Leusen

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 1.21 MB

english, 1990

11

Progress in Crystal Structure Prediction

Dr. John Kendrick, Dr. Frank J. J. Leusen, Dr. Marcus A. Neumann, Dr. Jacco van de Streek

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 722 KB

english, 2011

12

ChemInform Abstract: Polymorph Prediction of Small Organic Molecules, Co-crystals and Salts

Frank J. J. Leusen, John Kendrick

Journal:

Year:

2012

File:

PDF, 18 KB

2012

13

Towards a rational design for resolving agents. Part V: Substituent effects in the resolution of ephedrine using a series of cyclic phosphoric acids

Albertus D. van der Haest, Hans Wynberg, Frank J. J. Leusen, Alle Bruggink

Journal:

Recueil des Travaux Chimiques des Pays-Bas

Year:

1993

Language:

english

File:

PDF, 569 KB

english, 1993

14

Towards a rational design of resolving agents. Part IV. Crystal packing analyses and molecular mechanics calculations for five pairs of diastereomeric salts of ephedrine and a cyclic phosphoric acid

Frank J. J. Leusen, Hubert J. Bruins Slot, Jan H. Noordik, Albertus D. van der Haest, Hans Wynberg, Alle Bruggink

Journal:

Recueil des Travaux Chimiques des Pays-Bas

Year:

1992

Language:

english

File:

PDF, 696 KB

english, 1992

15

A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one

Asiri, Abdullah M, Heller, Harry G, Hughes, David S, Hursthouse, Michael B, Kendrick, John, Leusen, Frank JJ, Montis, Riccardo

Journal:

Chemistry Central Journal

Year:

2014

Language:

english

File:

PDF, 678 KB

english, 2014

16

A Major Advance in Crystal Structure Prediction

Marcus A. Neumann, Frank J. J. Leusen, John Kendrick

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 462 KB

english, 2008

17

Crystal Structure Prediction and Isostructurality of Three Small Molecules

Dr. Aldi Asmadi, Dr. John Kendrick, Dr. Frank J. J. Leusen

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 502 KB

english, 2010

18

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

Willer, Rodney L., Storey, Robson F., Deschamps, Jeffery, Parrish, Damon, Kendrick, John, Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2012

Language:

english

File:

PDF, 2.30 MB

english, 2012

19

Effects of Peritoneal Dialysis with an Overnight Icodextrin Dwell on Parameters of Glucose and LIPID Metabolism

Bredie, Sebastian J.H., Bosch, Frank H., Demacker, Pierre N.M., Stalenhoef, Anton F.H., Van Leusen, Robert

Journal:

Peritoneal Dialysis International

Year:

2001

Language:

english

File:

PDF, 42 KB

english, 2001

20

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

Chan, H. C. Stephen, Kendrick, John, Leusen, Frank J. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.83 MB

english, 2011

21

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

Alsirawan, MHD. Bashir, Vangala, Venu R., Kendrick, John, Leusen, Frank J. J., Paradkar, Anant

Journal:

Crystal Growth & Design

Year:

2016

Language:

english

File:

PDF, 974 KB

english, 2016

22

Co-crystallization with Nicotinamide in Two Conformations Lowers Energy but Expands Volume

Zhang, Si-Wei, Kendrick, John, Leusen, Frank J.J., Yu, Lian

Journal:

Journal of Pharmaceutical Sciences

Year:

2014

Language:

english

File:

PDF, 3.45 MB

english, 2014

23

Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals

Asmadi, Aldi, Neumann, Marcus A., Kendrick, John, Girard, Pascale, Perrin, Marc-Antoine, Leusen, Frank J. J.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

24

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

Gourlay, Matthew D., Kendrick, John, Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2008

Language:

english

File:

PDF, 802 KB

english, 2008

25

Predicting spontaneous racemate resolution using recent developments in crystal structure prediction

Kendrick, John, Gourlay, Matthew D., Neumann, Marcus A., Leusen, Frank J. J.

Journal:

Year:

2009

Language:

english

File:

PDF, 357 KB

english, 2009

26

Comparison of Static and Fluctuating Charge Models for Force-Field Methods Applied to Organic Crystals

Brodersen, Sven, Wilke, Steffen, Leusen, Frank J. J., Engel, Gerhard E.

Journal:

Crystal Growth & Design

Year:

2005

Language:

english

File:

PDF, 152 KB

english, 2005

27

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

H. C. Stephen Chan, Dr. John Kendrick, Dr. Frank J. J. Leusen

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 387 KB

english, 2011

28

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

John Kendrick, Frank J. J. Leusen, Marcus A. Neumann

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 830 KB

english, 2012

29

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

Karamertzanis, Panagiotis G., Day, Graeme M., Welch, Gareth W. A., Kendrick, John, Leusen, Frank J. J., Neumann, Marcus A., Price, Sarah L.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.97 MB

english, 2008

30

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

Montis, Riccardo, Hursthouse, Michael B., Chan, H. C. Stephen, Kendrick, John, Leusen, Frank J. J.

Journal:

Year:

2012

Language:

english

File:

PDF, 583 KB

english, 2012

31

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

Kendrick, John, Montis, Riccardo, Hursthouse, Michael B., Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 937 KB

english, 2013

32

Mapping the N6-region of the adenosine A1 receptor with computer graphics

Philip J.M. Van Galen, Frank J.J. Leusen, Adriaan P. Ijzerman, Willem Soudijn

Journal:

European Journal of Pharmacology: Molecular Pharmacology

Year:

1989

Language:

english

File:

PDF, 656 KB

english, 1989

33

Immune effector functions of human IgG2 antibodies against EGFR

Rösner, Thies, Kahle, Steffen, Montenegro, Francesca, Matlung, Hanke L, Jansen, J. H. Marco, Evers, Mitchell, Beurskens, Frank, Leusen, Jeanette H.W., van den Berg, Timo K, Valerius, Thomas

Journal:

Molecular Cancer Therapeutics

Year:

2018

Language:

english

File:

PDF, 3.24 MB

english, 2018

34

Ab initio prediction of polymorphs

Frank J.J. Leusen

Journal:

Journal of Crystal Growth

Year:

1996

Language:

english

File:

PDF, 284 KB

english, 1996

35

π-acceptor amide group for liquid chromatographic chiral separations with special emphasis on the 3,5-dinitrobenzoyl amide

Richard Däppen, Heinrich R. Karfunkel, Frank J.J. Leusen

Journal:

Journal of Chromatography A

Year:

1989

Language:

english

File:

PDF, 597 KB

english, 1989

36

A molecular dynamics approach for the generation of complete protein structures from limited coordinate data

Dr. Celia W. G. van Gelder, Frank J. J. Leusen, Jack A. M. Leunissen, Jan H. Noordik

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 1.04 MB

english, 1994

37

Multipoles versus charges in the 1999 crystal structure prediction test

Mooij, Wijnand T. M., Leusen, Frank J. J.

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 105 KB

english

38

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

Chan, H. C. Stephen, Kendrick, John, Neumann, Marcus A., Leusen, Frank J. J.

Journal:

Year:

2013

Language:

english

File:

PDF, 782 KB

english, 2013

39

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

Kendrick, John, Stephenson, Gregory A., Neumann, Marcus A., Leusen, Frank J. J.

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 2.57 MB

english, 2013

40

Prediction of the Mechanical Behaviour of Crystalline Solids

Mohammad Hossain Shariare, Frank J. J. Leusen, Marcel de Matas, Peter York, Jamshed Anwar

Journal:

Pharmaceutical Research

Year:

2012

Language:

english

File:

PDF, 784 KB

english, 2012

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