hehre wj (4 risultati)

Condizione: Good. 1st Edition. Pages intact with minimal writing/highlighting. The binding may be loose and creased. Dust jackets/supplements are not included. Stock photo provided. Product includes identifying sticker. Better World Books: Buy Books. Do Good.

Condizione: Fair. This is an ex-library book and may have the usual library/used-book markings inside.This book has soft covers. In fair condition, suitable as a study copy. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,400grams, ISBN:1890661058.

Dura. Condizione: Usado. Condizione sovraccoperta: Nuevo. No Aplica (illustratore). 0. A Guide to Molecular Mechanics and Quantum Chemical Calculations outlines the basis of molecular mechanics models as well as semi-empirical and HartreeFock molecular orbital, density functional and MP2 quantum chemical models, and assesses the perfonmance and the practicality of each with regard to the calculation of equilibrium and transition-state geomeries, equilibrium conformations, reaction and activation energies, and atomic charges and dipole moments. Strenghts and weaknesses of the individual methods are detailed, and practical "Strategies" for combining methods to effectively solve real problems are proposed. A series of applications illustrate these strategies as well as the use of graphical models to elucidate molecular properties and chemical reactivities. A guide to Molecular Mechanics and Quantum Chemical Calculations is intended to assist chemists in getting started with calculations not only to rationalize experimental observations but also as a powerful prelude to experimental work. 1620 gr. Libro.

Gebunden. Condizione: New. This book addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. It draws on a series of models that have already received widespread application and are available for ne.