Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies-Reference-Cited by-同舟云学术

Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

Published:2011 Issue:7 Volume:35 Page:1360
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Gavezzotti Angelo

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2011/NJ/C0NJ00982B

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1. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

2. On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations

3. van der Waals Interactions in Density-Functional Theory: Intermolecular Complexes

4. Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory

5. Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn–Sham model

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