• Fri frakt över 249 kr
  • •
  • Snabba leveranser
  • •
  • Billiga böcker
Kundservice

Du är på sajten för privatpersoner.

Företag, bibliotek eller offentlig verksamhet?

Du handlar på classic.bokus.com, där alla dina funktioner finns intakta.
Till classic.bokus.com
Bokus logotyp. Gå till startsidan.
  • Erbjudanden
  • Nyheter
  • Student
  • Topplistor
  • Barn & ungdom
  • Bokus Play
  • E-böcker
  • Pocketböcker
  • Spel & pussel

10% studentrabatt med kod TERM26

Sidfot

Mina sidor

    Hjälp

    • Kundservice
    • Vanliga frågor och svar
    • Frakt och leverans
    • Retur vid ångerrätt
    • Reklamera vara
    • Betalning
    • Köpvillkor
    • Allmänna villkor
    • Information om webbplatsens tillgänglighet

    Om Bokus

    • Om oss
    • Pressrum
    • För studenter
    • För företag
    • För bibliotek och offentlig verksamhet
    • För leverantörer
    • Hållbarhet

    Populärt

    • Aktuella erbjudanden
    • Presentkort
    • Studentlitteratur
    • Nya böcker
    • Topplistor
    • Signerade böcker
    • Engelska böcker

    Inspiration

    • Boktips
    • BookTok
    • Populära bokserier
    • Barnbokskaraktärer
    • Populära författare

    Mina sidor

      Hjälp

      • Kundservice
      • Vanliga frågor och svar
      • Frakt och leverans
      • Retur vid ångerrätt
      • Reklamera vara
      • Betalning
      • Köpvillkor
      • Allmänna villkor
      • Information om webbplatsens tillgänglighet

      Om Bokus

      • Om oss
      • Pressrum
      • För studenter
      • För företag
      • För bibliotek och offentlig verksamhet
      • För leverantörer
      • Hållbarhet

      Populärt

      • Aktuella erbjudanden
      • Presentkort
      • Studentlitteratur
      • Nya böcker
      • Topplistor
      • Signerade böcker
      • Engelska böcker

      Inspiration

      • Boktips
      • BookTok
      • Populära bokserier
      • Barnbokskaraktärer
      • Populära författare
      Logotyp för Bokus
      Följ oss på Facebook (extern länk)Följ oss på Instagram (extern länk)Följ oss på YouTube (extern länk)Följ oss på TikTok (extern länk)
      bokus @ CookiesAnpassa cookiesIntegritetspolicyKöpvillkor
      Till Citymail hemsida (extern länk)Till Budbee hemsida (extern länk)Till Postnord hemsida (extern länk)Till Schenker hemsida (extern länk)Till Early Bird hemsida (extern länk)Till Walleys hemsida (extern länk)
      1. Naturvetenskap och teknik
      2. Matematik och naturvetenskap
      3. Kemi
      4. Fysikalisk kemi

      Chemical Applications of Atomic and Molecular Electrostatic Potentials

      Reactivity, Structure, Scattering, and Energetics of Organic, Inorganic, and Biological Systems

      AvPeter Politzer,Donald G. Truhlar

      Häftad, Engelska, 2013

      1 637 kr

      Beställningsvara. Skickas inom 10-15 vardagar. Fri frakt över 249 kr.

      Beskrivning

      On March 26-27, 1980, a symposium organized by one of us (P. P. ) was held at the l79th American Chemical Society National ~1eeting in Houston, Texas, under the sponsorship of the Theoretical Chemistry Subdivision of the Division of Physical Chemistry. The symposium was entitled "The Role of the Electrostatic Potential in Chemistry," and it served as a stimulus for this book. The original scope and coverage have been broadened, however; included here, in addition to contributions from the eleven invited symposium speakers and two of the poster-session participants, are four papers that were specially invited for this book. Furthermore, several authors have taken this opportunity to present at least partial reviews of the areas being discussed. Most of the manuscripts were completed in the late spring and early summer of 1980. We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential. Second, we want to convey an appreci­ ation of both the powers and also the limitations of the electro­ static potential approach. In order to achieve these goals, we have selected contributors whose research areas provide a very broad coverage of the field. Throughout the book, we have used a. u.

      Produktinformation

      • Utgivningsdatum:2013-04-25
      • Mått:178 x 254 x 27 mm
      • Vikt:902 g
      • Format:Häftad
      • Språk:Engelska
      • Antal sidor:472
      • Förlag:Springer-Verlag New York Inc.
      • ISBN:9781475796360

      Utforska kategorier

      • Fysikalisk kemi inom Naturvetenskap och teknik

      Innehållsförteckning

      • 1. Introduction.- I. Atoms, Molecules and Complexes in the Gas Phase.- 2. Relationships between the Energies of Atoms and Molecules and the Electrostatic Potentials at their Nuclei.- 3. Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information.- 4. The Bare-Nuclear Potential as Harbinger for the Electron Density in a Molecule.- 5. Atomic Multipole Expansions of Molecular Charge Densities. Electrostatic Potentials.- 6. Some Relationships between Different Uses of the Electrostatic Potential.- 7. Electrostatic Potential of Free Molecules Derived from Electron Diffraction Results.- 8. Effective Potentials for Intermediate-Energy Electron Scattering: Testing Theoretical Models.- 9. Adiabatic Polarization Potentials for the Water and Nitrogen Molecules. A Comparison of Large and Small Basis Sets.- 10. Energy Decomposition Analysis of Molecular Interactions.- 11. The Role of the Electrostatic Potential in Modeling Hydrogen Bonding and Other Non-Covalent Interactions.- 12. Use of the Electrostatic Potential as a Guide to Understanding Molecular Properties.- 13. The ?-Fluoro Effect: An Empirical Use of Atomic Electrostatic Potentials.- II. Biomolecules.- 14. Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for some Successful Predictions of Biological Activity.- 15. Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic Polymerization.- 16. The Electrostatic Molecular Potential of the Nucleic Acids.- III. Crystal Phase.- 17. Electrostatic Potentials in Crystals.- 18. Pseudomolecular Electrostatic Potentials from X-ray Diffraction Data.- 19. Transition Metal Ions asProbes of the Molecular Electrostatic Potential: The Case for the Nucleic Acid Bases Cytosine and Guanine.
      Hoppa över listan

      Du kanske också är intresserad av

      Peter Politzer, Donald G. Truhlar - Chemical Applications of Atomic and Molecular Electrostatic Potentials, Inbunden

      Chemical Applications of Atomic and Molecular Electrostatic Potentials

      Peter Politzer, Donald G. Truhlar

      Inbunden, 1981

      1 637 kr

      Donald G. Truhlar, Peter Politzer - Chemical Applications of Atomic and Molecular Electrostatic Potentials, E-bok

      Chemical Applications of Atomic and Molecular Electrostatic Potentials

      Donald G. Truhlar, Peter Politzer

      E-bok
      2013

      2 044 kr

      Christopher J. Cramer, Donald G. Truhlar - Perspectives on Theoretical Chemistry, Häftad

      Perspectives on Theoretical Chemistry

      Christopher J. Cramer, Donald G. Truhlar

      Häftad, 2014

      1 092 kr

      Donald G. Truhlar, J. Ilja Siepmann, David M. Ferguson - Monte Carlo Methods in Chemical Physics, Volume 105, E-bok

      Monte Carlo Methods in Chemical Physics, Volume 105

      Donald G. Truhlar, J. Ilja Siepmann, David M. Ferguson

      E-bok
      2009

      7 036 kr

      Donald G. Truhlar, Donald G. Truhlar, Barry Simon - Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics, Inbunden

      Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics

      Donald G. Truhlar, Donald G. Truhlar, Barry Simon

      Inbunden, 1997

      876 kr

      Donald G. Truhlar - Mathematical Frontiers in Computational Chemical Physics, Häftad
      Del 15

      Mathematical Frontiers in Computational Chemical Physics

      Donald G. Truhlar

      Häftad, 2012

      1 094 kr

      Barry Simon, Donald G. Truhlar - Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics, E-bok

      Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics

      Barry Simon, Donald G. Truhlar

      E-bok
      2012

      710 kr

      Christopher J. Cramer, Donald G. Truhlar - Perspectives on Theoretical Chemistry, Inbunden

      Perspectives on Theoretical Chemistry

      Christopher J. Cramer, Donald G. Truhlar

      Inbunden, 2012

      1 092 kr

      Anthony J. Hopfinger, Donald G. Truhlar, W. Jeffrey Howe, Anthony J. Hopfinger, Jeff Blaney, Richard E. Dammkoehler - Rational Drug Design, Inbunden
      Del 108

      Rational Drug Design

      Anthony J. Hopfinger, Donald G. Truhlar, W. Jeffrey Howe, Anthony J. Hopfinger, Jeff Blaney, Richard E. Dammkoehler

      Inbunden, 1999

      1 094 kr

      David E. Keyes, Youcef Saad, Donald G. Trular, David E. Keyes, Yousef Saad, David E Keyes, Donald G Truhlar - Domain-Based Parallelism and Problem Decomposition Methods in Computational Science and Engineering, Häftad

      Domain-Based Parallelism and Problem Decomposition Methods in Computational Science and Engineering

      David E. Keyes, Youcef Saad, Donald G. Trular, David E. Keyes, Yousef Saad, David E Keyes, Donald G Truhlar

      Häftad, 1995

      1 119 kr