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Results: 1-10 |
Results: 10
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
THEORETICAL AB-INITIO AND SEMIEMPIRICAL STUDIES ON BIOLOGICALLY IMPORTANT DIPYRROLIC AND OLIGOPYRROLIC COMPOUNDS - PYRROMETHENONE AND BILIVERDIN
Authors: GORB L KORKIN A LESZCZYNSKI J VARNEK A MARK F SCHAFFNER K
Citation: L. Gorb et al., THEORETICAL AB-INITIO AND SEMIEMPIRICAL STUDIES ON BIOLOGICALLY IMPORTANT DIPYRROLIC AND OLIGOPYRROLIC COMPOUNDS - PYRROMETHENONE AND BILIVERDIN, Journal of molecular structure. Theochem, 425(1-2), 1998, pp. 137-145
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
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
A FAST AND SPACE-EFFICIENT BOUNDARY-ELEMENT METHOD FOR COMPUTING ELECTROSTATIC AND HYDRATION EFFECTS IN LARGE MOLECULES
Authors: ZAUHAR RJ VARNEK A
Citation: Rj. Zauhar et A. Varnek, A FAST AND SPACE-EFFICIENT BOUNDARY-ELEMENT METHOD FOR COMPUTING ELECTROSTATIC AND HYDRATION EFFECTS IN LARGE MOLECULES, Journal of computational chemistry, 17(7), 1996, pp. 864-877
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
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
DRAMATIC SOLVENT EFFECT ON THE LIGAND WRAPPING AROUND A COMPLEXED CATION - A MOLECULAR-DYNAMICS STUDY OF P-TERT-BUTYLCALIX[4]ARENE TETRAMIDE AND ITS COMPLEXES WITH ALKALI CATIONS AND EU3+ IN ACETONITRILE
Authors: VARNEK A WIPFF G
Citation: A. Varnek et G. Wipff, DRAMATIC SOLVENT EFFECT ON THE LIGAND WRAPPING AROUND A COMPLEXED CATION - A MOLECULAR-DYNAMICS STUDY OF P-TERT-BUTYLCALIX[4]ARENE TETRAMIDE AND ITS COMPLEXES WITH ALKALI CATIONS AND EU3+ IN ACETONITRILE, Journal of physical chemistry, 97(41), 1993, pp. 10840-10848
MOLECULAR-DYNAMICS STUDY OF P-TERT-BUTYLCALIX[4]ARENETETRAAMIDE AND ITS COMPLEXES WITH NEUTRAL AND CATIONIC GUESTS - INFLUENCE OF SOLVATIONON STRUCTURES AND STABILITIES
Authors: GUILBAUD P VARNEK A WIPFF G
Citation: P. Guilbaud et al., MOLECULAR-DYNAMICS STUDY OF P-TERT-BUTYLCALIX[4]ARENETETRAAMIDE AND ITS COMPLEXES WITH NEUTRAL AND CATIONIC GUESTS - INFLUENCE OF SOLVATIONON STRUCTURES AND STABILITIES, Journal of the American Chemical Society, 115(18), 1993, pp. 8298-8312
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