Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry
by Babkin, V. A.Edition: 1st
Format: Hardcover
Pub. Date: 2012-07-01
Publisher(s): NOVA SCIENCE PUBLISHERS INC
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Summary
This book presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effect advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies.
Table of Contents
| Geometrical & electronic structure of molecule limonen by method AB INITIO | |
| Geometrical & electronic structure of molecule a-glucose by method AB INITIO | |
| Geometrical & electronic structure of molecule purine by method MNDO | |
| Geometrical & electronic structure of molecule trinitrocellulose by method MNDO | |
| Geometrical & electronic structure of molecule 5-atsetylo Dmitrieximethyl-5-methyl-2-chlorine-1,3,2-dioxiforinam by method MNDO | |
| Geometrical & electronic structure of molecule cholesterol by method MNDO | |
| Geometrical & electronic structure of molecule ethyle alcohol by method AB INITIO | |
| Geometrical & electronic structure of molecule thymine by method AB INITIO | |
| Geometrical & electronic structure of molecule cytosine by method AB INITIO | |
| Geometrical & electronic structure of molecule pentene-1 by method AB INITIO | |
| Geometrical & electronic structure of molecule propene by method AB INITIO | |
| Geometrical & electronic structure of molecule ethylene by method AB INITIO | |
| Geometrical & electronic structure of molecule pentene-1 by method MNDO | |
| Table of Contents provided by Publisher. All Rights Reserved. |
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