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Computational Chemistry: Reviews of Current Trends (Computational Chemistry: Reviews of Current Trends, 8) by Jerzy Leszczynski (Editor) is a nonfiction available to read on EtoBox.

What is Computational Chemistry: Reviews of Current Trends (Computational Chemistry: Reviews of Current Trends, 8) about?

Annotation. The gap between experimental objects and models for calculations in chemistry is being bridged. The size of experimental nano-objects is decreasing, while reliable calculations are feasible for larger and larger molecular systems. The results of these calculations for isolated molecules are becoming more relevant for experiments. However, there are still significant challenges for computational methods. This series of books presents reviews of current advances in computational methodologies and applications. Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. Chapter 3 discusses the application of "ab initio methods for a reliable evaluation of the characteristics of hydrogen-bonded and van der Waals complexes. "Ab initio quantum-chemical methods are popular among researchers investigating various aspects of DNA. The properties of DNA base polyads linked by base-base hydrogen bonds are reviewed in Chapte

Who reads Computational Chemistry: Reviews of Current Trends (Computational Chemistry: Reviews of Current Trends, 8)?

Author

Jerzy Leszczynski (Editor)

Publisher

World Scientific Publishing Company, Incorporated

Published

2004

Language

EN

ISBN

9789812381163

Category

nonfiction

Subjects

Science, Chemistry, Mathematics