Quantitative treatments of solute/solvent interactions

作者: J. S. Murray , Peter Politzer

DOI:

关键词: Hydrogen bondComputational chemistryChemistryImplicit solvationSolventSolvationThermodynamicsQuantumMoleculeMolecular interactionsOrganic molecules

摘要: Perspectives and overview, P. Politzer J.S. Murray development biological applications of quantum mechanical continuum solvation models, C.J. Cramer D.G. Truhlar some effects molecular structure on hydrogen-bonding interaction - macroscopic microscopic views from experimental theoretical result, R.W. Taft new solute descriptors for linear free energy relationships quantitative structure-activity relationships, M.H. Abraham hydrogen bonding in the gas phase solution developments, J.-L.M. Abboud et al solvent acidity basicity polar media their role solvation, W.R. Fawcett using G.R. Famini L.Y. Wilson a general properties function (GIPF) an approach to understanding predicting interactions, estimation chemical reactivity parameters physical organic molecules SPARC, S.H. Hilal index.

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