Cover image for Quantum-Chemical Calculations of Molecular System as the Basis of Nanotechnologies in Applied Quantum Chemistry.
Quantum-Chemical Calculations of Molecular System as the Basis of Nanotechnologies in Applied Quantum Chemistry.
Title:
Quantum-Chemical Calculations of Molecular System as the Basis of Nanotechnologies in Applied Quantum Chemistry.
Author:
Zaikov, G. E.
ISBN:
9781624173981
Personal Author:
Physical Description:
1 online resource (247 pages)
Series:
Chemistry Research and Applications
Contents:
QUANTUM-CHEMICAL CALCULATIONS OF MOLECULAR SYSTEMS AS THE BASIS OF NANOTECHNOLOGIES IN APPLIED QUANTUM CHEMISTRY VOLUME 3 -- QUANTUM-CHEMICAL CALCULATIONS OF MOLECULAR SYSTEMS AS THE BASIS OF NANOTECHNOLOGIES IN APPLIED QUANTUM CHEMISTRY VOLUME 3 -- CONTENTS -- PREFACE -- PART I. QUANTUM-CHEMICAL CALCULATION OF CHEMICAL COMPOUNDS, SYNTHESIZED BY LAUREATES OF NOBEL PRIZE -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE TERPENE-MENTHOL BY METHOD AB INITIO (NOBEL PRIZE 1910, ОTTО WALLACH) -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE AMMONIA BY METHOD AB INITIO (NOBEL PRIZE 1918, FRITZ HABER) -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE α- TERPINEOL BY METHOD MNDO (NOBEL PRIZE 1910, ОTTО WALLACH) -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART II. QUANTUM-CHEMICAL CALCULATION OF CELLULOSE -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE DINITROCELLULOSE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART III. QUANTUM-CHEMICAL CALCULATION OF MEDICAL PRODUCTS -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE ACETYL CHLORIDE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 4-METHYL-2,6,7,3-OXA-1-FOSFABICYCLO[2,2,2]OCTANE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART IV. QUANTUM-CHEMICAL CALCULATION OF JET ENGINE FUELS -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE DIMETHYLHYDRAZINE BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE HYDROGEN PEROXIDE BY METHOD AB INITIO -- ABSTRACT.

AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART V. QUANTUM-CHEMICAL CALCULATION IN BIOCHEMISTRY -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE ADENINE BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE GUANINE BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART VI. QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS OF CATIONIC POLYMERIZATION BY METHOD AB INITIO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE DEKENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE NONENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE OCTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART VII. QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS BY METHOD MNDO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE DEKENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE NONENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE OCTENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART VIII. QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS OF CATIONIC POLYMERIZATION, BRANCHED OUT IN α-POSITION IN RELATION TO DOUBLE BOND BY METHOD AB INITIO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 3-METHYLPENTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES.

PART IX. QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN α-POSITION IN RELATION TO DOUBLE BOND BY METHOD MNDO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 3-METHYLPENTENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART X. QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN γ-, δ -, ε-POSITION IN RELATION TO DOUBLE BOND BY AB INITIO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 5-METHYLHEXENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 5-METHYLHEPTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 6-METHYLHEPTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XI. QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD AB INITIO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-ETHYLEBUTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- EOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2,3-DIMETHYLBUTENE-1 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XII. QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD MNDO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-ETHYLEBUTENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2,3-DIMETHYLBUTENE-1 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XIII. QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD AB INITIO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE TRANS-3-METHYLPENTADIENE-1,3 BY METHOD AB INITIO.

ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE CIS-3-METHYLPENTADIENE-1,3 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 4-METHYLPENTADIENE-1,3 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2,4-DIMETHYLPENTADIENE-1,3 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 1,1,4,4-TETRAMETHYLBUTADIENE-1,3 BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE MIRCEN BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XIV. QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD MNDO -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE CIS-3-METHYLPENTADIENE-1,3 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 4-METHYLPENTADIENE-1,3 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 1,1,4,4-TETRAMETHYLBUTADIENE-1,3 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE MIRCEN BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-PHENYLBUTADIENE-1,3 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XV. STYRENE AND ITS DERIVATIONS.

GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE TRANS-P-METOXI-β-METHYSTYRENE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE CIS-β-N-PROPILSTYRENE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE CIS-P-ETOXI-β-METHYLSTYRENE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE TRANS-P-ETOXI-Β-METHYLSTYRENE BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XVI. INDENE AND ITS ЕгО DERIVATIONS -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 1,4 -(1,1-́DIINDENYL)TRANS-BUTENE-2 BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 1,2 -(3,3-́DIINDENYL)BUTAN BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 1,2-(3,3-́DIINDENYL)ETAN BY METHOD MNDO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- PART XVII. BICYCLIC OLEFINS -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-(BICYCLO[2,2,1]HEPTAN)PROPENE BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-VINILBICYCLO[2,2,1]HEPTAN BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-METHYLENE-3,3-DIMETHYLBICYCLO[2,2,1]HEPTANE BY METHOD AB INITIO -- ABSTRACT -- AIMS AND BACKGROUNDS -- METHODICAL PART -- REFERENCES -- GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE 2-METHYLBICYCLO[2,2,1] HEPTANE BY METHOD AB INITIO.

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Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2017. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.
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