Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry: Quantum Chemical Calculation of Monomers of Cationic Polymerization and Other Unique Molecular Systems
by Babkin, V. A.; Zaikov, G. E.Format: Hardcover
Pub. Date: 2012-06-30
Publisher(s): Nova Science Pub 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 terpene-menthol by method AB INITIO | |
| Geometrical & electronic structure of molecule ammonia by method AB INITIO | |
| Geometrical & electronic structure of molecule a-terpinol by method MNDO | |
| Geometrical & electronic structure of molecule dinitrocellulose by method MNDO | |
| Geometrical & electronic structure of molecule acetyl chloride by method MNDO | |
| Geometrical & electronic structure of molecule 4-methyl-2,6,7,3-oxa-1-fosfabicyclo[2,2,2]octane by method MNDO | |
| Geometrical & electronic structure of molecule dimethylhydrazine by method AB INITIO | |
| Geometrical & electronic structure of molecule hydrogen peroxide by method AB INITIO | |
| Geometrical & electronic structure of molecule adenine by method AB INITIO | |
| Geometrical & electronic structure of molecule guanine by method AB INITIO | |
| Geometrical & electronic structure of molecule dekene-1 by method AB INITIO | |
| Geometrical & electronic structure of molecule nonene-1 by method AB INITIO | |
| Geometrical & electronic structure of molecule octene-1 by method AB INITIO | |
| Table of Contents provided by Publisher. All Rights Reserved. |
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