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Results: 1-25 | 26-31
Results: 1-25/31
MIGRATION OF IONOPHORES AND SALTS THROUGH A WATER CHLOROFORM LIQUID-LIQUID INTERFACE - MOLECULAR DYNAMICS-POTENTIAL OF MEAN FORCE INVESTIGATIONS
Authors: LAUTERBACH M ENGLER E MUZET N TROXLER L WIPFF G
Citation: M. Lauterbach et al., MIGRATION OF IONOPHORES AND SALTS THROUGH A WATER CHLOROFORM LIQUID-LIQUID INTERFACE - MOLECULAR DYNAMICS-POTENTIAL OF MEAN FORCE INVESTIGATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(1), 1998, pp. 245-256
BINDING OF NME4-IONS BY A BRIDGED CALIX[6]ARENE IN CHLOROFORN - A MOLECULAR-DYNAMICS INVESTIGATION (VOL 93, PG 376, 1998)( AND NH4+ AMMONIUM)
Authors: FRATERNALI F WIPFF G
Citation: F. Fraternali et G. Wipff, BINDING OF NME4-IONS BY A BRIDGED CALIX[6]ARENE IN CHLOROFORN - A MOLECULAR-DYNAMICS INVESTIGATION (VOL 93, PG 376, 1998)( AND NH4+ AMMONIUM), Anales de quimica, 94(1), 1998, pp. 26-26
DO PICRATE ANIONS ATTRACT EACH OTHER IN SOLUTION - MOLECULAR-DYNAMICSSIMULATIONS IN WATER AND IN ACETONITRILE SOLUTIONS
Authors: TROXLER L HARROWFIELD JM WIPFF G
Citation: L. Troxler et al., DO PICRATE ANIONS ATTRACT EACH OTHER IN SOLUTION - MOLECULAR-DYNAMICSSIMULATIONS IN WATER AND IN ACETONITRILE SOLUTIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(34), 1998, pp. 6821-6830
THEORETICAL-STUDIES ON THE UO22-CONTAINING O=PR3 LIGANDS - QM AB-INITIO CALCULATIONS IN THE GAS-PHASE AND MD FEP CALCULATIONS IN AQUEOUS-SOLUTION( AND SR2+ COMPLEXATION BY PHOSPHORYL)
Authors: HUTSCHKA F DEDIEU A TROXLER L WIPFF G
Citation: F. Hutschka et al., THEORETICAL-STUDIES ON THE UO22-CONTAINING O=PR3 LIGANDS - QM AB-INITIO CALCULATIONS IN THE GAS-PHASE AND MD FEP CALCULATIONS IN AQUEOUS-SOLUTION( AND SR2+ COMPLEXATION BY PHOSPHORYL), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(21), 1998, pp. 3773-3781
INTERFACIAL BEHAVIOR OF IONOPHORIC SYSTEMS - MOLECULAR-DYNAMICS STUDIES ON 18-CROWN-6 AND ITS COMPLEXES AT THE WATER-CHLOROFORM INTERFACE
Authors: TROXLER L WIPFF G
Citation: L. Troxler et G. Wipff, INTERFACIAL BEHAVIOR OF IONOPHORIC SYSTEMS - MOLECULAR-DYNAMICS STUDIES ON 18-CROWN-6 AND ITS COMPLEXES AT THE WATER-CHLOROFORM INTERFACE, Analytical sciences, 14(1), 1998, pp. 43-56
THEORETICAL-STUDIES ON TRI-N-BUTYL PHOSPHATE - MD SIMULATIONS IN-VACUO, IN WATER, IN CHLOROFORM, AND AT A WATER CHLOROFORM INTERFACE/
Authors: BEUDAERT P LAMARE V DOZOL JF TROXLER L WIPFF G
Citation: P. Beudaert et al., THEORETICAL-STUDIES ON TRI-N-BUTYL PHOSPHATE - MD SIMULATIONS IN-VACUO, IN WATER, IN CHLOROFORM, AND AT A WATER CHLOROFORM INTERFACE/, Solvent extraction and ion exchange, 16(2), 1998, pp. 597-618
COMPLEXATION OF PHOSPHORYL-CONTAINING MONO-PODAND, BI-PODAND AND TRI-PODAND WITH ALKALI CATIONS IN ACETONITRILE - STRUCTURE OF THE COMPLEXES AND BINDING SELECTIVITY
Authors: SOLOVEV VP BAULIN VE STRAKHOVA NN KAZACHENKO VP BELSKY VK VARNEK AA VOLKOVA TA WIPFF G
Citation: Vp. Solovev et al., COMPLEXATION OF PHOSPHORYL-CONTAINING MONO-PODAND, BI-PODAND AND TRI-PODAND WITH ALKALI CATIONS IN ACETONITRILE - STRUCTURE OF THE COMPLEXES AND BINDING SELECTIVITY, Perkin transactions. 2, (6), 1998, pp. 1489-1498
VANDERWAALS HOST-GUEST COMPLEXES - CAN ONE PREDICT COMPLEXATION SELECTIVITY OF NEUTRAL GUESTS BY A CRYPTOPHANE - MD-FEP STUDIES IN GAS-PHASE AND CHLOROFORM SOLUTION
Authors: VARNEK A HELISSEN S WIPFF G COLLET A
Citation: A. Varnek et al., VANDERWAALS HOST-GUEST COMPLEXES - CAN ONE PREDICT COMPLEXATION SELECTIVITY OF NEUTRAL GUESTS BY A CRYPTOPHANE - MD-FEP STUDIES IN GAS-PHASE AND CHLOROFORM SOLUTION, Journal of computational chemistry, 19(8), 1998, pp. 820-832
COMPLEXATION OF LN(3-CONTAINING O=PR3 LIGANDS - A QUANTUM-MECHANICS STUDY() LANTHANIDE CATIONS WITH PHOSPHORYL)
Authors: TROXLER L DEDIEU A HUTSCHKA F WIPFF G
Citation: L. Troxler et al., COMPLEXATION OF LN(3-CONTAINING O=PR3 LIGANDS - A QUANTUM-MECHANICS STUDY() LANTHANIDE CATIONS WITH PHOSPHORYL), Journal of molecular structure. Theochem, 431(1-2), 1998, pp. 151-163
BINDING OF NME4-IONS BY A BRIDGED CALIX[6]ARENE IN CHLOROFORM - A MOLECULAR-DYNAMICS INVESTIGATION( AND NH4+ AMMONIUM)
Authors: FRATERNALI F WIPFF G
Citation: F. Fraternali et G. Wipff, BINDING OF NME4-IONS BY A BRIDGED CALIX[6]ARENE IN CHLOROFORM - A MOLECULAR-DYNAMICS INVESTIGATION( AND NH4+ AMMONIUM), Anales de quimica, 93(6), 1997, pp. 376-384
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/
Authors: VARNEK A TROXLER L WIPFF G
Citation: A. Varnek et al., 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/, Chemistry, 3(4), 1997, pp. 552-560
CALIX[4]ARENE PODANDS AND BARRELANDS INCORPORATING 2,2'-BIPYRIDINE MOIETIES AND THEIR LANTHANIDE COMPLEXES - LUMINESCENCE PROPERTIES
Authors: ULRICH G ZIESSEL R MANET I GUARDIGLI M SABBATINI N FRATERNALI F WIPFF G
Citation: G. Ulrich et al., CALIX[4]ARENE PODANDS AND BARRELANDS INCORPORATING 2,2'-BIPYRIDINE MOIETIES AND THEIR LANTHANIDE COMPLEXES - LUMINESCENCE PROPERTIES, Chemistry, 3(11), 1997, pp. 1815-1822
INTERACTION OF THE T-BUTYLCALIX[14]ARENE ANION WITH AMMONIUM CATIONS IN ACETONITRILE - HOST-GUEST COMPLEXES OR EXO COUNTERIONS - A MOLECULAR-DYNAMICS INVESTIGATION
Authors: FRATERNALI F WIPFF G
Citation: F. Fraternali et G. Wipff, INTERACTION OF THE T-BUTYLCALIX[14]ARENE ANION WITH AMMONIUM CATIONS IN ACETONITRILE - HOST-GUEST COMPLEXES OR EXO COUNTERIONS - A MOLECULAR-DYNAMICS INVESTIGATION, Journal of inclusion phenomena and molecular recognition in chemistry, 28(1), 1997, pp. 63-78
MOLECULAR-DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS
Authors: FRATERNALI F WIPFF G
Citation: F. Fraternali et G. Wipff, MOLECULAR-DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS, Journal of physical organic chemistry, 10(5), 1997, pp. 292-304
LIQUID-LIQUID ION EXTRACTION - INFLUENCE OF THE WATER-CONTENT OF THE ORGANIC-PHASE ON THE ION EXTRACTION SELECTIVITY - AN MD AND FEP STUDY OF CALIX[4]CROWN-6 ALKALI CATION COMPLEXES IN BINARY CHLOROFORM-WATER MIXTURES
Authors: LAUTERBACH M WIPFF G MARK A VANGUNSTEREN WF
Citation: M. Lauterbach et al., LIQUID-LIQUID ION EXTRACTION - INFLUENCE OF THE WATER-CONTENT OF THE ORGANIC-PHASE ON THE ION EXTRACTION SELECTIVITY - AN MD AND FEP STUDY OF CALIX[4]CROWN-6 ALKALI CATION COMPLEXES IN BINARY CHLOROFORM-WATER MIXTURES, Gazzetta chimica italiana, 127(11), 1997, pp. 699-708
MD-SIMULATIONS ON UO2(2-SOLUTION AND AT A WATER() AND SR2+ COMPLEXES WITH CMPO DERIVATIVES IN AQUEOUS)CHLOROFORM INTERFACE/
Authors: GUILBAUD P WIPFF G
Citation: P. Guilbaud et G. Wipff, MD-SIMULATIONS ON UO2(2-SOLUTION AND AT A WATER() AND SR2+ COMPLEXES WITH CMPO DERIVATIVES IN AQUEOUS)CHLOROFORM INTERFACE/, New journal of chemistry, 20(6), 1996, pp. 631-642
MD SIMULATIONS ON IONOPHORES AT A WATER-CHLOROFORM INTERFACE .1. CALIX[4]ARENES UNCOMPLEXED AND THE 222-CRYPTAND
Authors: WIPFF G ENGLER E GUILBAUD P LAUTERBACH M TROXLER L VARNEK A
Citation: G. Wipff et al., MD SIMULATIONS ON IONOPHORES AT A WATER-CHLOROFORM INTERFACE .1. CALIX[4]ARENES UNCOMPLEXED AND THE 222-CRYPTAND, New journal of chemistry, 20(4), 1996, pp. 403-417
ALKALINE-EARTH AND URANYL CATION COMPLEXES OF A CALIX[4]ARENE-TETRAAMIDE - MD AND FEP SIMULATIONS IN AQUEOUS AND ACETONITRILE SOLUTIONS ANDX-RAY STRUCTURE OF ITS SR(PICRATE)(2) COMPLEX
Authors: MUZET N WIPFF G CASNATI A DOMIANO L UNGARO R UGOZZOLI F
Citation: N. Muzet et al., ALKALINE-EARTH AND URANYL CATION COMPLEXES OF A CALIX[4]ARENE-TETRAAMIDE - MD AND FEP SIMULATIONS IN AQUEOUS AND ACETONITRILE SOLUTIONS ANDX-RAY STRUCTURE OF ITS SR(PICRATE)(2) COMPLEX, Perkin transactions. 2, (6), 1996, pp. 1065-1075
THE STATIS METHOD - CHARACTERIZATION OF CONFORMATIONAL STATES OF FLEXIBLE MOLECULES FROM MOLECULAR-DYNAMICS SIMULATIONS IN SOLUTION
Authors: COQUET R TROXLER L WIPFF G
Citation: R. Coquet et al., THE STATIS METHOD - CHARACTERIZATION OF CONFORMATIONAL STATES OF FLEXIBLE MOLECULES FROM MOLECULAR-DYNAMICS SIMULATIONS IN SOLUTION, Journal of molecular graphics, 14(4), 1996, pp. 206-212
THEORETICAL CALCULATIONS OF EXTRACTION SELECTIVITY - ALKALI CATION COMPLEXES OF CALIX[4]-BIS-CROWN6 IN PURE WATER, CHLOROFORM, AND AT A WATER CHLOROFORM INTERFACE/
Authors: VARNEK A WIPFF G
Citation: A. Varnek et G. Wipff, THEORETICAL CALCULATIONS OF EXTRACTION SELECTIVITY - ALKALI CATION COMPLEXES OF CALIX[4]-BIS-CROWN6 IN PURE WATER, CHLOROFORM, AND AT A WATER CHLOROFORM INTERFACE/, Journal of computational chemistry, 17(13), 1996, pp. 1520-1531
FORCE-FIELD REPRESENTATION OF THE UO22-ENERGY MD SIMULATIONS IN WATER- TESTS ON ITS 18-CROWN-6 AND NO3- ADDUCTS, AND ON ITS CALIX[6]ARENE(6-) AND CMPO COMPLEXES( CATION FROM FREE)
Authors: GUILBAUD P WIPFF G
Citation: P. Guilbaud et G. Wipff, FORCE-FIELD REPRESENTATION OF THE UO22-ENERGY MD SIMULATIONS IN WATER- TESTS ON ITS 18-CROWN-6 AND NO3- ADDUCTS, AND ON ITS CALIX[6]ARENE(6-) AND CMPO COMPLEXES( CATION FROM FREE), Journal of molecular structure. Theochem, 366(1-2), 1996, pp. 55-63
SOLVENT AND COUNTERION EFFECTS ON NA+ CS+ COMPLEXATION SELECTIVITY BYCONFORMATIONALLY LOCKED CALIX[4]-BIS-CROWN LIGANDS - MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION STUDIES IN WATER AND METHANOL, ACETONITRILE AND CHLOROFORM SOLUTIONS/
Authors: VARNEK A WIPFF G
Citation: A. Varnek et G. Wipff, SOLVENT AND COUNTERION EFFECTS ON NA+ CS+ COMPLEXATION SELECTIVITY BYCONFORMATIONALLY LOCKED CALIX[4]-BIS-CROWN LIGANDS - MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION STUDIES IN WATER AND METHANOL, ACETONITRILE AND CHLOROFORM SOLUTIONS/, Journal of molecular structure. Theochem, 363(1), 1996, pp. 67-85
COMPLEXATION OF THE P-T-BUTYL-CALIX[4]ARENE ANION WITH ALKALI-METAL CATIONS IN POLAR, NONAQUEOUS SOLVENTS - EXPERIMENTAL AND THEORETICAL-STUDIES
Authors: ABIDI R BAKER MV HARROWFIELD JM HO DSC RICHMOND WR SKELTON BW WHITE AH VARNEK A WIPFF G
Citation: R. Abidi et al., COMPLEXATION OF THE P-T-BUTYL-CALIX[4]ARENE ANION WITH ALKALI-METAL CATIONS IN POLAR, NONAQUEOUS SOLVENTS - EXPERIMENTAL AND THEORETICAL-STUDIES, Inorganica Chimica Acta, 246(1-2), 1996, pp. 275-286
COMPLEXATION OF ALKALI CATIONS BY CALIX[4]CROWN IONOPHORES - CONFORMATION AND SOLVENT DEPENDENT NA+ CS+ BINDING SELECTIVITY AND EXTRACTION - MD SIMULATIONS IN THE GAS-PHASE, IN WATER AND AT THE CHLOROFORM-WATER INTERFACE/
Authors: WIPFF G LAUTERBACH M
Citation: G. Wipff et M. Lauterbach, COMPLEXATION OF ALKALI CATIONS BY CALIX[4]CROWN IONOPHORES - CONFORMATION AND SOLVENT DEPENDENT NA+ CS+ BINDING SELECTIVITY AND EXTRACTION - MD SIMULATIONS IN THE GAS-PHASE, IN WATER AND AT THE CHLOROFORM-WATER INTERFACE/, Supramolecular chemistry, 6(1-2), 1995, pp. 187
AN APPLICATION OF THE MIERTUS-SCROCCO-TOMASI SOLVATION MODEL IN MOLECULAR MECHANICS AND DYNAMICS SIMULATIONS
Authors: VARNEK AA WIPFF G GLEBOV AS FEIL D
Citation: Aa. Varnek et al., AN APPLICATION OF THE MIERTUS-SCROCCO-TOMASI SOLVATION MODEL IN MOLECULAR MECHANICS AND DYNAMICS SIMULATIONS, Journal of computational chemistry, 16(1), 1995, pp. 1-19
Risultati: 1-25 | 26-31