The Application of Quantum Mechanics in Reactivity of Molecules

Released on by Sérgio F. Sousa
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  • The Application of Quantum Mechanics in Reactivity of Molecules Book Detail

  • Author : Sérgio F. Sousa
  • Release Date : 2021-03-19
  • Publisher : MDPI
  • Genre : Science
  • Pages : 182
  • ISBN 13 : 3036506586
  • File Size : 28,28 MB
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The Application of Quantum Mechanics in Reactivity of Molecules by Sérgio F. Sousa PDF Summary

Book Description: Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.

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Quantum Chemistry of Organic Compounds

Quantum Chemistry of Organic Compounds

File Size : 22,22 MB
Total View : 9895 Views
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Chemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function