Reviews in Computational Chemistry [Elektronisk resurs]

• Reviews in Computational Chemistry II; Contents; A Survey of Methods for Searching the Conformational Space of Small and Medium-Sized Molecules; Simplified Models for Understanding and Predicting Protein Structure; Molecular Mechanics: The Art and Science of Parameterization; New Approaches to Empirical Force Fields; Calculating the Properties of Hydrogen Bonds by ab Initio Methods; Net Atomic Charge and Multipole Models for the ab Initio Molecular Electric Potential; Molecular Electrostatic Potentials and Chemical Reactivity; Semiempirical Molecular Orbital Methods. 
• The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property ModelingThe Electron-Topological Approach to the QSAR Problem; The Computational Chemistry Literature; Appendix: Compendium of Software for Molecular Modeling; Author Index; Subject Index. 

• This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quan 

Ämnesord

Chemistry -- Data processing -- Periodicals. 

Chemistry -- Mathematics -- Periodicals. 

Chemistry -- Periodicals. 

Genre

Electronic books.  (LCSH)

Klassifikation

QD39.3.E46 R48 (LCC)

542.85 (DDC)

Uce.02 (kssb/8 (machine generated))