• Annual Reports in Computational Chemistry (Hardback) 9780444637109
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Annual Reports in Computational Chemistry

Timely and critical reviews of important topics in computational chemistry

David A. Dixon (Series edited by)

9780444637109, Elsevier Science

Hardback, published 25 November 2015

436 pages
22.9 x 15.1 x 2.8 cm, 0.58 kg

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 (Section A)

  1. NMR Calculations for Paramagnetic Molecules and Metal Complexes

    2. Jochen Autschbach

  2. The Nonlocal Correlation Density Functional VV10: a Successful Attempt to Accurately Capture Noncovalent Interactions

    3. Joaquín Calbo, Enrique Ortí, Juan C. Sancho-García and Juan Aragó

  3. Modeling Laser Induced Molecule Excitations Using Real-Time Time-Dependent Density Functional Theory

    4. Attila Bende

  4. Chemical Bonding, Reactivity and Viability of Large Boron Clusters

    5. Jules 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 Chemistry

    6. Simone 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

Subject Areas: Enterprise software [UFL], Analytical chemistry [PNF]
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