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Annual Reports in Computational Chemistry de David A. Dixon

Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 11

David A. Dixon
en Limba Engleză Hardback – 25 noi 2015
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.


  • Quantum chemistry
  • Molecular mechanics
  • Force fields
  • Chemical education and applications in academic and industrial settings
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Specificații

ISBN-13: 9780444637109
ISBN-10: 0444637109
Pagini: 436
Dimensiuni: 152 x 229 x 28 mm
Greutate: 0.89 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry

Public țintă

Researchers and students interested in computational chemistry

Cuprins

Quantum Chemistry (Section A)
  1. NMR Calculations for Paramagnetic Molecules and Metal ComplexesJochen Autschbach
  2. The Nonlocal Correlation Density Functional VV10: a Successful Attempt to Accurately Capture Noncovalent InteractionsJoaquín Calbo, Enrique Ortí, Juan C. Sancho-García and Juan Aragó
  3. Modeling Laser Induced Molecule Excitations Using Real-Time Time-Dependent Density Functional TheoryAttila Bende
  4. Chemical Bonding, Reactivity and Viability of Large Boron ClustersJules Tshishimbi Muya, Minh Tho Nguyen and Arnout Ceulemans
    Scattering Theory (Section B)
  5. A Computational Perspective on Multichannel Scattering Theory with Applications to Physical and Nuclear ChemistrySimone Taioli and Stefano Simonucci
    Theory of Liquids (Section C)
  6. Intermolecular Network Theory: A General Approach for Understanding the Structural and Dynamic Properties of Liquids and Solutions
    Aurora E. Clark