Chemistry at the Frontier with Physics and Computer Science Theory and Computation

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  • Engels
  • Paperback
  • 9780323908658
  • 20 mei 2022
  • 294 pagina's
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Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution).

Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields.

  • Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives
  • Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation
  • Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding

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Inhoud

Taal
en
Bindwijze
Paperback
Oorspronkelijke releasedatum
20 mei 2022
Aantal pagina's
294

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Hoofdauteur
Sergio Rampino
Tweede Auteur
Sergio Rampino

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Product breedte
152 mm
Product lengte
229 mm
Studieboek
Nee
Verpakking breedte
152 mm
Verpakking hoogte
229 mm
Verpakking lengte
229 mm
Verpakkingsgewicht
500 g

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EAN
9780323908658

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