תמונות העטיפה

Introduction to Statistical Thermodynamics A Molecular Perspective /

This textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses on introducing the central concepts of thermodynamics and their relation to microscopic theories in a conceptually clear and simple way. The emphasis is on the description of what is goi...

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מידע ביבליוגרפי
Main Authors: Elstner, Marcus (Author), Cui, Qiang (Author), Gruden, Maja (Author)
מחבר תאגידי: SpringerLink (Online service)
פורמט: אלקטרוני ספר אלקטרוני
שפה:אנגלית
יצא לאור: Cham : Springer International Publishing : Imprint: Springer, 2024.
מהדורה:1st ed. 2024.
סדרה:Physical Chemistry in Action,
נושאים:
Physical chemistry.
Chemistry, Physical and theoretical.
Thermodynamics.
Quantum physics.
Chemometrics.
Physical Chemistry.
Theoretical Chemistry.
Quantum Physics.
Mathematical Applications in Chemistry.
גישה מקוונת:https://doi.org/10.1007/978-3-031-54994-6
תגים: הוספת תג
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תוכן הענינים:
  • Part I Microscopic and Macroscopic Theories
  • Why Statistical Thermodynamics?
  • Energies of Molecules
  • Dynamics of molecules
  • The laws of thermodynamics
  • Principle of maximum entropy
  • Part II Fundamentals of Classical Statistical Thermodynamics
  • The microscopic entropy
  • The Boltzmann distribution
  • The canonical distribution
  • The canonical ensemble
  • Non-interacting and interacting systems
  • Part III Application of Classical Statistical Thermodynamics
  • State sum (partition function) for non-interacting systems
  • Application to ideal gases of polyatomic molecules
  • Chemical equilibria and kinetics
  • Application to solid bodies
  • Application to 2-level systems: spin systems
  • Spatial distributions
  • Thermodynamics of Real Gases, Liquids and Polymers
  • Part IV Quantum statistics and the electronic structure of molecules
  • Quantum Statistics
  • Electron densities and electron correlations
  • Wave function based methods
  • Density Functional Theory (DFT)
  • Non-covalent interactions.

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