2012

Handbook of Computational Chemistry

Editors:

ISBN: 978-94-007-0710-8 (Print) 978-94-007-0711-5 (Online)

Table of contents (39 entries)

previous Page of 2
  1. Front Matter

    Pages i-xx

  2. No Access

    Reference Work Entry

    Pages 1-12

    From Quantum Theory to Computational Chemistry. A Brief Accountof Developments

  3. No Access

    Reference Work Entry

    Pages 13-54

    2 The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics

  4. No Access

    Reference Work Entry

    Pages 55-93

    Remarks on Wave Function Theory and Methods

  5. No Access

    Reference Work Entry

    Pages 95-133

    Directions for Use of Density Functional Theory: A Short Instruction Manual for Chemists

  6. No Access

    Reference Work Entry

    Pages 135-156

    Introduction to Response Theory

  7. No Access

    Reference Work Entry

    Pages 157-193

    Intermolecular Interactions

  8. No Access

    Reference Work Entry

    Pages 195-238

    Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained”

  9. No Access

    Reference Work Entry

    Pages 239-258

    Statistical Mechanics of Force-Induced Transitions of Biopolymers

  10. No Access

    Reference Work Entry

    Pages 259-291

    Molecular Mechanics: Method and Applications

  11. No Access

    Reference Work Entry

    Pages 293-359

    Molecular Structure and Vibrational Spectra

  12. No Access

    Reference Work Entry

    Pages 361-441

    11 Molecular Electric, Magnetic, and Optical Properties

  13. No Access

    Reference Work Entry

    Pages 443-466

    Weak Intermolecular Interactions: A Supermolecular Approach

  14. No Access

    Reference Work Entry

    Pages 467-482

    Chemical Reactions: Thermochemical Calculations

  15. No Access

    Reference Work Entry

    Pages 483-560

    Calculation of Excited States: Molecular Photophysics and Photochemistry on Display

  16. No Access

    Reference Work Entry

    Pages 561-571

    Solvent Effects in Quantum Chemistry

  17. No Access

    Reference Work Entry

    Pages 573-610

    Auxiliary Density Functional Theory: From Molecules to Nanostructures

  18. No Access

    Reference Work Entry

    Pages 611-630

    17 Guide to Programs for Non-relativistic Quantum Chemistry Calculations

  19. No Access

    Reference Work Entry

    Pages 631-666

    Functional Nanostructures and Nanocomposites – Numerical Modeling Approach and Experiment

  20. No Access

    Reference Work Entry

    Pages 667-721

    Structures and Stability of Fullerenes,Metallofullerenes, and Their Derivatives

  21. No Access

    Reference Work Entry

    Pages 723-759

    Structures and Electric Properties of Semiconductor clusters

previous Page of 2