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1

Potassium Extraction by a Cryptand to Supercritical CO 2 . The Role of Counterions Investigated by MD Simulations at the Water/SC–CO 2 Interface

Galand, N., WIPFF, G.

Journal:

Supramolecular Chemistry

Year:

2005

Language:

english

File:

PDF, 1.58 MB

english, 2005

2

Strontium Nitrate Extraction to Ionic Liquids by a Crown Ether: A Molecular Dynamics Study of Aqueous Interfaces with C 4 mim + - vs C 8 mim + -Based Ionic Liquids

Chaumont, A., Wipff, G.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 9.73 MB

english, 2010

3

Angiogenesis in systemic sclerosis: Impaired expression of vascular endothelial growth factor receptor 1 in endothelial progenitor–derived cells under hypoxic conditions

J. Avouac, J. Wipff, O. Goldman, B. Ruiz, P. O. Couraud, G. Chiocchia, A. Kahan, C. Boileau, G. Uzan, Y. Allanore

Journal:

Arthritis & Rheumatism

Year:

2008

Language:

english

File:

PDF, 965 KB

english, 2008

4

Model building studies in supramolecular chemistry

Journal:

Journal of Molecular Graphics

Year:

1987

Language:

english

File:

PDF, 140 KB

english, 1987

5

Stereochemistry of reaction paths at carbonyl centres

H.B. B:urgi, J.D. Dunitz, J.M. Lehn, G. Wipff

Journal:

Year:

1974

Language:

english

File:

PDF, 888 KB

english, 1974

6

Ossification du ligament commun vertébral postérieur et compression médullaire chez un Africain

Julien Wipff, Yannick Allanore, Catherine Cormier, Aimée Redondo, André Kahan

Journal:

La Presse Médicale

Year:

2005

Language:

french

File:

PDF, 229 KB

french, 2005

7

On the Importance of the Aqueous Interface in the Multiphasic Rhodium Catalyzed Hydroformylation of Propene: a Molecular Dynamics Study

Sieffert, Nicolas, Wipff, Georges

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 4.04 MB

english, 2008

8

Perrhenate Complexation by Uranyl in Traditional Solvents and in Ionic Liquids: A Joint Molecular Dynamics/Spectroscopic Study

Chaumont, Alain, Klimchuk, Olga, Gaillard, Clotilde, Billard, Isabelle, Ouadi, Ali, Hennig, Christoph, Wipff, Georges

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.96 MB

english, 2012

9

Aqueous Interfaces with Hydrophobic Room-Temperature Ionic Liquids: A Molecular Dynamics Study

Chaumont, A., Schurhammer, R., Wipff, G.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 1.51 MB

english, 2005

10

Importance of the Liquid−Liquid Interface in Assisted Ion Extraction: New Molecular Dynamics Studies of Cesium Picrate Extraction by a Calix[4]arene

Sieffert, Nicolas, Chaumont, Alain, Wipff, Georges

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 11.15 MB

english, 2009

11

Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior

Baaden, M., Berny, F., Madic, C., Schurhammer, R., Wipff, G.

Journal:

Solvent Extraction and Ion Exchange

Year:

2003

Language:

english

File:

PDF, 1.60 MB

english, 2003

12

Supramolecular Interactions of Cryptates in Concentrated Solutions: The Effect of Solvent and Counterions Investigated by MD Simulations

Jost, P., Galand, N., Schurhammer, R., Wipff, G.

Journal:

Solvent Extraction and Ion Exchange

Year:

2007

Language:

english

File:

PDF, 521 KB

english, 2007

13

Upper Rim Thioether Derivatives of Calix[4,6]Arenes: Extraction of Fission Pd(II) and Ag(I)

Torgov, V., Kostin, G., Korda, T., Stoyanov, E., Kalchenko, V., Drapailo, A., Kasyan, O., Wipff, G., Varnek, A.

Journal:

Solvent Extraction and Ion Exchange

Year:

2005

Language:

english

File:

PDF, 320 KB

english, 2005

14

THEORETICAL STUDIES ON TRI-n-BUTYL PHOSPHATE: MD SIMULATIONS IN VACUO , IN WATER, IN CHLOROFORM, AND AT A WATER / CHLOROFORM INTERFACE.

Beudaert, P., Lamare, V., Dozol, J.-F., Troxler, L., Wipff, G.

Journal:

Solvent Extraction and Ion Exchange

Year:

1998

Language:

english

File:

PDF, 488 KB

english, 1998

15

Structural and Anion Coordination Features of Macrocyclic Polyammonium Cations in the Solid, Solution and Computational Phases

Boudon, Stéphane, Decian, André, Fischer, Jean, Hosseini, Wais, Lehn, Jean-Marie, Wipff, Georges

Journal:

Journal of Coordination Chemistry

Year:

1991

Language:

english

File:

PDF, 1.10 MB

english, 1991

16

SOLVENT EXTRACTION OF METAL PICRATES BY PHOSPHORYL-CONTAINING PODANDS

Nazarenko, A.Y., Baulin, V.E., Lamb, J.D., Volkova, T.A., Varnek, A.A., Wipff, G.

Journal:

Solvent Extraction and Ion Exchange

Year:

1999

Language:

english

File:

PDF, 2.36 MB

english, 1999

17

MOLECULAR MODELLING IN SOLVENT EXTRACTION: IONOPHORES IN PURE SOLUTIONS AND AT THE LIQUID/LIQUID INTERFACE

Varnek, Alexandre, Wipff, Georges

Journal:

Solvent Extraction and Ion Exchange

Year:

1999

Language:

english

File:

PDF, 526 KB

english, 1999

18

Formation of Aqueous Biphasic Systems with an Ionic Liquid Induced by Metallic Salts: Nanoscopic Views from Molecular Dynamics Simulations

Schurhammer, Rachel, Wipff, Georges

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 8.80 MB

english, 2018

19

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface

Varnek, A., Wipff, G.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.00 MB

english, 1996

20

van der Waals host-guest complexes: Can one predict complexation selectivity of neutral guests by a cryptophane? MD-FEP studies in gas phase and chloroform solution

Varnek, Alexandre, Helissen, Severine, Wipff, Georges, Collet, Andr�

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 336 KB

english, 1998

21

Therapy of a xenografted human colonic carcinoma using cisplatin or doxorubicin encapsulated in long-circulating pegylated stealth liposomes

Jan Vaage, Dorothy Donovan, Eirin Wipff, Robert Abra, Gail Colbern, Paul Uster, Peter Working

Journal:

International Journal of Cancer

Year:

1999

Language:

english

File:

PDF, 62 KB

english, 1999

22

MOLECULAR DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS

F. Fraternali, G. Wipff

Journal:

Journal of Physical Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 240 KB

english, 1997

23

Elektrostatisch kontrollierter intramolekularer Elektronentransfer in Calix[4]dichinonen, die einen Chromophor enthalten

Muriel Hissler, Anthony Harriman, Pierre Jost, Georges Wipff, Raymond Ziessel

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 167 KB

german, 1998

24

Electrostatic Control of Intramolecular Electron Transfer in Calix[4]diquinones Bearing an Appended Chromophore

Muriel Hissler, Anthony Harriman, Pierre Jost, Georges Wipff, Raymond Ziessel

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 154 KB

english, 1998

25

Do Perchlorate and Triflate Anions Bind to the Uranyl Cation in an Acidic Aqueous Medium? A Combined EXAFS and Quantum Mechanical Investigation

Laurent Sémon, Christian Boehme, Isabelle Billard, Christoph Hennig, Klaus Lützenkirchen, Tobias Reich, André Roßberg, Isabelle Rossini, Georges Wipff

Journal:

Year:

2001

Language:

english

File:

PDF, 146 KB

english, 2001

26

Halide Anion Recognition in Water by an Hexaprotonated Octaaza-Cryptand: A Molecular Dynamics Investigation

Pierre Jost, Rachel Schurhammer, Georges Wipff

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 198 KB

english, 2000

27

The Energetic and Structural Effects of Steric Crowding in Phosphate and Dithiophosphinate Complexes of Lanthanide Cations M3+: A Computational Study

Christian Boehme, Georges Wipff

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 221 KB

english, 2001

28

Prevalence of Barrett's esophagus in systemic sclerosis

J. Wipff, Y. Allanore, F. Soussi, B. Terris, V. Abitbol, J. Raymond, S. Chaussade, A. Kahan

Journal:

Arthritis & Rheumatism

Year:

2005

Language:

english

File:

PDF, 625 KB

english, 2005

29

Cardiac involvement in systemic sclerosis assessed by tissue-doppler echocardiography during routine care: A controlled study of 100 consecutive patients

Christophe Meune, Jérôme Avouac, Karim Wahbi, Laure Cabanes, Julien Wipff, Luc Mouthon, Loïc Guillevin, André Kahan, Yannick Allanore

Journal:

Arthritis & Rheumatism

Year:

2008

Language:

english

File:

PDF, 76 KB

english, 2008

30

The PTPN22 620W allele confers susceptibility to systemic sclerosis: Findings of a large case–control study of European Caucasians and a meta-analysis

P. Dieudé, M. Guedj, J. Wipff, J. Avouac, E. Hachulla, E. Diot, B. Granel, J. Sibilia, J. Cabane, O. Meyer, L. Mouthon, A. Kahan, C. Boileau, Y. Allanore

Journal:

Arthritis & Rheumatism

Year:

2008

Language:

english

File:

PDF, 93 KB

english, 2008

31

Association between the IRF5 rs2004640 functional polymorphism and systemic sclerosis: A new perspective for pulmonary fibrosis

P. Dieudé, M. Guedj, J. Wipff, J. Avouac, I. Fajardy, E. Diot, B. Granel, J. Sibilia, J. Cabane, L. Mouthon, J. L. Cracowski, P. H. Carpentier, E. Hachulla, O. Meyer, A. Kahan, C. Boileau, Y. Allanore

Journal:

Arthritis & Rheumatism

Year:

2009

Language:

english

File:

PDF, 87 KB

english, 2009

32

STAT4 is a genetic risk factor for systemic sclerosis having additive effects with IRF5 on disease susceptibility and related pulmonary fibrosis

P. Dieudé, M. Guedj, J. Wipff, B. Ruiz, E. Hachulla, E. Diot, B. Granel, J. Sibilia, K. Tiev, L. Mouthon, J.L. Cracowski, P.H. Carpentier, Z. Amoura, I. Fajardy, J. Avouac, O. Meyer, A. Kahan, C. Boil

Journal:

Arthritis & Rheumatism

Year:

2009

Language:

english

File:

PDF, 85 KB

english, 2009

33

BANK1 is a genetic risk factor for diffuse cutaneous systemic sclerosis and has additive effects with IRF5 and STAT4

P. Dieudé, J. Wipff, M. Guedj, B. Ruiz, I. Melchers, E. Hachulla, G. Riemekasten, E. Diot, N. Hunzelmann, J. Sibilia, K. Tiev, L. Mouthon, J. L. Cracowski, P. H. Carpentier, J. Distler, Z. Amoura, I.

Journal:

Arthritis & Rheumatism

Year:

2009

Language:

english

File:

PDF, 92 KB

english, 2009

34

Association of a KCNA5 gene polymorphism with systemic sclerosis–associated pulmonary arterial hypertension in the European Caucasian population

J. Wipff, P. Dieudé, M. Guedj, B. Ruiz, G. Riemekasten, J. L. Cracowski, M. Matucci-Cerinic, I. Melchers, M. Humbert, E. Hachulla, P. Airo, E. Diot, N. Hunzelmann, P. Caramaschi, J. Sibilia, G. Valent

Journal:

Arthritis & Rheumatism

Year:

2010

Language:

english

File:

PDF, 104 KB

english, 2010

35

Association of the CD226 Ser307 variant with systemic sclerosis: Evidence of a contribution of costimulation pathways in systemic sclerosis pathogenesis

P. Dieudé, M. Guedj, M. E. Truchetet, J. Wipff, L. Revillod, G. Riemekasten, M. Matucci-Cerinic, I. Melchers, E. Hachulla, P. Airo, E. Diot, N. Hunzelmann, L. Mouthon, J. Cabane, J. L. Cracowski, V. R

Journal:

Arthritis & Rheumatism

Year:

2011

Language:

english

File:

PDF, 129 KB

english, 2011

36

Adsorption of Ionophores and of Their Cation Complexes at the Water/Chloroform Interface: A Molecular Dynamics Study of a [2.2.2]Cryptand and of Phosphoryl-Containing Podands

A. Varnek, L. Troxler, G. Wipff

Journal:

Chemistry - A European Journal

Year:

1997

Language:

english

File:

PDF, 2.28 MB

english, 1997

37

Calix[4]Arene Podands and Barrelands Incorporating 2,2″-Bipyridine Moieties and Their Lanthanide Complexes: Luminescence Properties

Dr. Gilles Ulrich, Dr. Raymond Ziessel, Dr. Ilse Manet, Dr. Massimo Guardigli, Prof. Nanda Sabbatini, Dr. Franca Fraternali, Dr. Georges Wipff

Journal:

Chemistry - A European Journal

Year:

1997

Language:

english

File:

PDF, 1.34 MB

english, 1997

38

Halide Anion Capture and Recognition by a Tetrahedral Tetraammonium Receptor in Water: A Molecular Dynamics Investigation

Alain Chaumont, Etienne Engler, Georges Wipff

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 405 KB

english, 2003

39

Solvation of Uranyl(II), Europium(III) and Europium(II) Cations in “Basic” Room-Temperature Ionic Liquids: A Theoretical Study

Alain Chaumont, Georges Wipff

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 412 KB

english, 2004

40

Importance of Interfacial Adsorption in the Biphasic Hydroformylation of Higher Olefins Promoted by Cyclodextrins: A Molecular Dynamics Study at the Decene/Water Interface

Nicolas Sieffert, Georges Wipff

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 1.53 MB

english, 2007

41

ChemInform Abstract: Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments.

V. P. Solov'ev, A. Varnek, G. Wipff

Journal:

Year:

2000

File:

PDF, 24 KB

2000

42

ChemInform Abstract: Molecular Dynamics of Cation Complexation and Extraction with Regard to Calixarenes

Journal:

Year:

2001

File:

PDF, 24 KB

2001

43

ChemInform Abstract: Interaction of Trivalent Lanthanide Cations with Nitrate Anions: A Quantum Chemical Investigation of Monodentate/Bidentate Binding Modes.

Marc Dobler, Philippe Guilbaud, Alain Dedieu, Georges Wipff

Journal:

Year:

2002

File:

PDF, 24 KB

2002

44

Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method.

A. Varnek, G. Wipff, V. P. Solovev, A. F. Solotnov

Journal:

Year:

2002

File:

PDF, 25 KB

2002

45

Coordination Environment of Aqueous Uranyl(VI) Ion.

Michael Buehl, Romain Diss, Georges Wipff

Journal:

Year:

2005

File:

PDF, 9 KB

2005

46

ChemInform Abstract: Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study.

Michael Buehl, Georg Schreckenbach, Nicolas Sieffert, Georges Wipff

Journal:

Year:

2009

Language:

english

File:

PDF, 13 KB

english, 2009

47

Insights into Uranyl Chemistry from Molecular Dynamics Simulations

Prof. Dr. Michael Bühl, Prof. Dr. Georges Wipff

Journal:

Year:

2011

Language:

english

File:

PDF, 3.14 MB

english, 2011

48

Stereoelectronic Properties of Tetrahedral Species derived from Carbonyl Groups. Ab initio study of the hydroxymethanes

Jean-Marie Lehn, Georges Wipff, Hans-Beat Bürgi

Journal:

Helvetica Chimica Acta

Year:

1974

Language:

english

File:

PDF, 263 KB

english, 1974

49

Stereoelectronic Properties, Stereospecificity and Stabilization of α-Seleno Carbanions. An ab initio Study

Jean-Marie Lehn, Georges Wipff, Jean Demuynck

Journal:

Helvetica Chimica Acta

Year:

1977

Language:

english

File:

PDF, 494 KB

english, 1977

50

Stereoelectronic Properties of Tetrahedral Species Derived from Carbonyl Groups. Ab initio study of aminodihydroxymethane, CH(OH)2NH2, a model tetrahedral intermediate in amide hydrolysis

Jean-Marie Lehn, Georges Wipff

Journal:

Helvetica Chimica Acta

Year:

1978

Language:

english

File:

PDF, 813 KB

english, 1978

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