Quantum-chemical calculations of molecular systems as the basis of nanotechnologies in applied quantum chemistry . Volume 3 Quantum chemical calculation of monomers of cationic polymerization and other unique molecular systems / / V.A. Babkin and G.E. Zaikov, editors

• Record Nr.: UNINA9910961197403321
• Pubbl/distr/stampa: New York, : Nova Science Publishers, c2012
• ISBN: 1-62417-398-5
• Edizione: [1st ed.]
• Descrizione fisica: 1 online resource (247 p.)
• Collana: Nanotechnology science and technology; Chemistry research and applications
• Altri autori (Persone): BabkinV. A (Vasiliĭ Anatolʹevich); ZaikovG. E <1935-> (Gennadiĭ Efremovich)
• Disciplina: 620/.5
• Soggetti: Nanotechnology; Quantum chemistry - Data processing; Molecular structure - Data processing
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: pt. I. Quantum-chemical calculation of chemical compounds, synthesized by laureates of Nobel Prize -- pt. II. Quantum-chemical calculation of cellulose -- pt. III. Quantum-chemical calculation of medical products -- pt. IV. Quantum-chemical calculation of jet engine fuels -- pt. V. Quantum-chemical calculation in biochemistry -- pt. VI. Quantum-chemical calculation of linear olefins of cationic polymerization by method ab initio -- pt. VII. Quantum-chemical calculation of linear olefins by method MNDO -- pt. VIII. Quantum-chemical calculation of linear olefins of cationic polymerization, branched out in A-position in relation to double bond by method ab initio -- pt. IX. Quantum-chemical calculation of linear monomers, branched out in A-position in relation to double bond by method MNDO -- pt. X. Quantum-chemical calculation of linear monomers, branched out in G-, D-, E-position in relation to double bond by ab initio -- pt. XI. Quantum-chemical calculation of isoolefins by method ab initio -- pt. XII. Quantum-chemical calculation of isoolefins by method MNDO -- pt. XIII. Quantum-chemical calculation of dienes and ; trienes by method ab initio -- pt. XIV. Quantum-chemical calculation of dienes and trienes by method MNDO -- pt. XV. Styrene and its derivations -- pt. XVI. Indene and its EGO derivations -- pt. XVII. Bicyclic olefins -- pt. XVIII. Compound with small cycles.
• Sommario/riassunto: 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.