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020 _a9783031549946
_9978-3-031-54994-6
024 7 _a10.1007/978-3-031-54994-6
_2doi
050 4 _aQD450-882
072 7 _aPNR
_2bicssc
072 7 _aSCI013050
_2bisacsh
072 7 _aPNR
_2thema
100 1 _aElstner, Marcus.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_976568
245 1 0 _aIntroduction to Statistical Thermodynamics
_h[electronic resource] :
_bA Molecular Perspective /
_cby Marcus Elstner, Qiang Cui, Maja Gruden.
250 _a1st ed. 2024.
264 1 _aCham :
_bSpringer International Publishing :
_bImprint: Springer,
_c2024.
300 _aXXVI, 554 p. 126 illus.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aPhysical Chemistry in Action,
_x2197-4357
505 0 _aPart 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.
520 _aThis 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 going on at the microscopic level, which allows readers to understand the various facets of entropy as the fundamental driving force of all material behaviors. An atomistic perspective is introduced from the beginning, highlighting the importance of molecular structure and microscopic degrees of freedom for understanding the thermodynamic properties of materials, such as heat capacity and magnetization. Because of their importance in various research fields, classical and quantum aspects are treated equally, allowing modern research topics to be addressed with molecular simulation and electronic structure theory. It is a valuable resource for undergraduate and graduate students in chemistry, physics, and materials science, and its modular structure makes it suitable for any reader.
650 0 _aPhysical chemistry.
_965285
650 0 _aChemistry, Physical and theoretical.
_965282
650 0 _aThermodynamics.
_966400
650 0 _aQuantum physics.
_966608
650 0 _aChemometrics.
_973553
650 1 4 _aPhysical Chemistry.
_965285
650 2 4 _aTheoretical Chemistry.
_966619
650 2 4 _aThermodynamics.
_966400
650 2 4 _aQuantum Physics.
_966608
650 2 4 _aMathematical Applications in Chemistry.
_973555
700 1 _aCui, Qiang.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_976569
700 1 _aGruden, Maja.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_976570
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9783031549939
776 0 8 _iPrinted edition:
_z9783031549953
776 0 8 _iPrinted edition:
_z9783031549960
830 0 _aPhysical Chemistry in Action,
_x2197-4357
_975496
856 4 0 _uhttps://doi.org/10.1007/978-3-031-54994-6
912 _aZDB-2-CMS
912 _aZDB-2-SXC
999 _c59735
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