Computational Chemistry: Reviews Of Current Trends

Contents:

*Molecules as Components in Electronic Devices: A First-Principles Study (M Di Ventra)

*Tackling DNA with Density Functional Theory: Development and Application of Parallel and Order-N DFT Methods (C F Guerra et al.)

*Low-Scaling Methods for Electron Correlation (S Saebø)

*Iterative and Non-Iterative Inclusion of Connected Triple Excitations in Coupled-Cluster Methods: Theory and Numerical Comparisons for Some Difficult Examples (J D Watts)

*Explicitly Correlated Coupled Cluster R12 Calculations (J Noga & P Valiron)

*Ab Initio Direct Molecular Dynamics Studies of Atmospheric Reactions: Interconversion of Nitronium Ions and Nitric Acid in Small Clusters (Y Ishikawa & R C Binning, Jr.)