Quantum-chemical calculations of molecular systems as the basis of nanotechnologies in applied quantum chemistry. Vol. 1 /

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Zaikov, G. E. (Gennadiĭ Efremovich), 1935-, Babkin, V. A. (Vasiliĭ Anatolʹevich)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York : Nova Publishers, ©2012.
Colección:Nanotechnology science and technology series.
Temas:
Nanotechnology.
Quantum chemistry > Data processing.
Molecular structure > Data processing.
Chimie quantique > Informatique.
Structure moléculaire > Informatique.
Nanotechnologie.
SCIENCE > Nanoscience.
TECHNOLOGY & ENGINEERING > Nanotechnology & MEMS.
Molecular structure > Data processing
Nanotechnology
Quantum chemistry > Data processing
Acceso en línea:Texto completo
Tabla de Contenidos:
  • QUANTUM-CHEMICAL CALCULATIONS OF MOLECULAR SYSTEMS AS THE BASIS OF NANOTECHNOLOGIES IN APPLIED QUANTUM CHEMISTRY; NANOTECHNOLOGY SCIENCE AND TECHNOLOGY; CHEMISTRY RESEARCH AND APPLICATIONS; QUANTUM-CHEMICAL CALCULATIONS OF MOLECULAR SYSTEMS AS THE BASIS OF NANOTECHNOLOGIES IN APPLIED QUANTUM CHEMISTRY; VOLUME 1; Library of Congress Cataloging-in-Publication Data; CONTENTS; FOREWORD; PREFACE; MAIN DATES OF LIFE AND CREATIVE SCIENTIFIC ACTIVITY OF PROF. V.A. BABKIN; PART I. QUANTUM-CHEMICAL CALCULATION OF CHEMICAL COMPOUNDS.
  • CHAPTER 1. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE VITAMIN "C" BY METHOD MNDOABSTRACT; AIMS AND BACKGROUNDS; METHODICAL PART; REFERENCES; CHAPTER 2. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE BENZILPENICILLIN BY METHOD AB INITIO; ABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; REFERENCES; CHAPTER 3. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE VITAMIN "A" BY METHOD MNDO(NOBEL PRIZE 1937, PAUL KARRER); ABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; REFERENCES; PART II. QUANTUM-CHEMICAL CALCULATION OF LIQUID CRYSTAL.
  • CHAPTER 4. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULES NEMATIC, SMECTIC, HOLESTERIC LIQUID CRYSTAL BY METHOD MNDOABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; REFERENCES; CHAPTER 5. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE HOLESTERINBENZOAT BY METHOD MNDO; ABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; REFERENCES; PART III. QUANTUM-CHEMICAL CALCULATION OF CELLULOSE ; CHAPTER 6. GEOMETRICAL AND ELECTRONIC STRUCTURE OF MOLECULE CELLULOSE BY METHOD AB INITIO; ABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; REFERENCES; PART IV. QUANTUM-CHEMICAL CALCULATION OF MEDICAL PRODUCTS.
  • II STAGE. REACTION OF NUCLEOPHYLIC SUBSTITUTION BROMINE INMETHYL (BENZYL) BROMIDE BY ANION OF 2-THIOURACILIII STAGE. REACTION OF RECEPTION O-SODIUM SALTOF 2-METHYL(BENZYL)SULFANIL-4-PYRIMIDINON; IV STAGE. REACTION OF NUCLEOPHYLIC SUBSTITUTION BROMINE IN METHYL(BENZYL)BROMIDE ON OXYANION OF 2-METHYL(BENZYL)SULFANIL-4-PYRIMIDINON; CONCLUSION; REFERENCES; PART V. QUANTUM-CHEMICAL CALCULATION OF MEDICAL PRODUCTS ; CHAPTER 10. PARAMETERS OF BURNING ROCKET FUELS IN DIOXIFLUORIDE; ABSTRACT; AIMS AND BACKGROUND; METHODICAL PART; RESULTS AND DISCUSSION; REFERENCES.

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