Description

Book Synopsis

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.



Table of Contents

Quantum-Chemical Calculations of Compounds With Low Cycles. Quantum-Chemical Calculation of Conjugated Olefins. Quantum-Chemical Calculations of Styrenes and Their Derivations. Quantum-Chemical Calculations of Indene and Its Derivations. Quantum-Chemical Calculation of Others Aromatic Olefins.

Quantum-Chemical Calculation of Unique Molecular

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    A Hardback by Vladimir A. Babkin, Gennady Efremovich Zaikov, A. K. Haghi

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      View other formats and editions of Quantum-Chemical Calculation of Unique Molecular by Vladimir A. Babkin

      Publisher: Apple Academic Press Inc.
      Publication Date: Publication Date: 25/02/2014
      ISBN13: 9781926895758, 978-1926895758
      ISBN10: 1926895754

      Description

      Book Synopsis

      The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.



      Table of Contents

      Quantum-Chemical Calculations of Compounds With Low Cycles. Quantum-Chemical Calculation of Conjugated Olefins. Quantum-Chemical Calculations of Styrenes and Their Derivations. Quantum-Chemical Calculations of Indene and Its Derivations. Quantum-Chemical Calculation of Others Aromatic Olefins.

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