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Reviews in Computational Chemistry / Reviews in Computational Chemistry, Volume 2
herausgegeben von Kenny B. Lipkowitz und Donald B. BoydThis second volume of the series 'Reviews in ComputationalChemistry' explores new applications, new methodologies, and newperspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronicspectroscopy, molecular property correlations, and thecomputational chemistry literature. Methodologies described includeconformational search strategies, distance geometry, molecularmechanics, molecular dynamics, ab initio and semiempiricalmolecular orbital calculations, and quantitative structure-activityrelationships (QSAR) using topological and electronic descriptors.
A compendium of molecular modeling software will help users selectthe computational tools they need. Each chapter in 'Reviews inComputational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.