Annual Reports in Computational Chemistry Annual Reports in Computational Chemistry Series, Vol. 8
Coordonnateur : Wheeler Ralph A.
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.
- 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
- A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
- Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States
- On The Orthogonality of Orbitals in Subsystem Kohn-Sham Density Functional Theory
- Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules
- A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics
- Poisson-Boltzmann Implicit Solvation Models Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo
David A. Dixon, David Feller and Kirk A. Peterson
Wanyi Jiang and Angela K. Wilson
Yuriy G. Khait and Mark R. Hoffmann
Section B: Biological Modeling (Section Editor: Nathan Baker)
David M. Rogers, Dian Jiao, Lawrence R. Pratt and Susan B. Rempe
Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren
Section C: Bioinformatics (Section Editor: Wei Wang)
- 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
Date de parution : 10-2012
Ouvrage de 208 p.
15.2x22.8 cm
Disponible chez l'éditeur (délai d'approvisionnement : 14 jours).
Prix indicatif 215,20 €
Ajouter au panierThèmes d’Annual Reports in Computational Chemistry :
Mots-clés :
carbonic anhydrase; chelation; Chemical accuracy; chemical equilibrium; Coarse grained; Computational thermochemistry; Correlation consistent; Correlation-consistent basis sets; Coupled cluster theory [CCSD(T)]; Density functional theory; Electron density; Electronic structure; Electrostatics; Poisson-Boltzmann model; Implicit solvent; Force field; Molecular dynamics; Biomolecules; Embedding; Excited state; Feller-Peterson-Dixon (FPD) approach; Force field; inter-ionic correlations; ion coordina