Georges Wipff - researchr alias

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Viewing Publication 1 - 6 from 6

2002

Macrotricyclic quaternary tetraammonium receptors: Halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigationAlain Chaumont, Georges Wipff. jcc, 23(16):1532-1543, 2002. [doi]

Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments MethodAlexandre Varnek, Georges Wipff, Vitaly P. Solov ev, A. F. Solotnov. jcisd, 42(4):812-829, 2002. [doi]

2000

Modeling of Ion Complexation and Extraction Using Substructural Molecular FragmentsVitaly P. Solov ev, Alexandre Varnek, Georges Wipff. jcisd, 40(3):847-858, 2000. [doi]

1998

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 solutionAlexandre Varnek, Severine Helissen, Georges Wipff, André Collet. jcc, 19(8):820-832, 1998. [doi]

1996

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interfaceAlexandre Varnek, Georges Wipff. jcc, 17(13):1520-1531, 1996. [doi]

1995

An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular Mechanics and Dynamics SimulationsAlexandre Varnek, Georges Wipff, A. S. Glebov, D. Feil. jcc, 16(1):1-19, 1995.

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