Annual Reports in Computational Chemistry
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...
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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.
Bibliographische Angaben
- Herausgegeben:Dixon, David A.
- Verlag: Elsevier Science & Technology
- EAN: 9780444637109
Inhaltsverzeichnis zu „Annual Reports in Computational Chemistry “
Quantum Chemistry (Section A)
NMR Calculations for Paramagnetic Molecules and Metal Complexes
Jochen Autschbach
The Nonlocal Correlation Density Functional VV10: a Successful Attempt to Accurately Capture Noncovalent Interactions
Joaquín Calbo, Enrique Ortí, Juan C. Sancho-García and Juan Aragó
Modeling Laser Induced Molecule Excitations Using Real-Time Time-Dependent Density Functional Theory
Attila Bende
Chemical Bonding, Reactivity and Viability of Large Boron Clusters
Jules Tshishimbi Muya, Minh Tho Nguyen and Arnout Ceulemans
Scattering Theory (Section B)
A Computational Perspective on Multichannel Scattering Theory with Applications to Physical and Nuclear Chemistry
Simone Taioli and Stefano Simonucci
Theory of Liquids (Section C)
Intermolecular Network Theory: A General Approach for Understanding the Structural and Dynamic Properties of Liquids and Solutions Aurora E. Clark
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