Computational organic chemistry
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2006/OC/B518099F
Reference98 articles.
1. Performance of the DFTB method in comparison to DFT and semiempirical methods for geometries and energies of C20–C86 fullerene isomers
2. An Efficient Fragment-Based Approach for Predicting the Ground-State Energies and Structures of Large Molecules
3. An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems
4. An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer
5. 1,2-Didehydro[10]annulenes: Structures, Aromaticity, and Cyclizations
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1. The Literature of Heterocyclic Chemistry, Part X, 2005–2007;Advances in Heterocyclic Chemistry;2011
2. Assessment of double-hybrid energy functionals for π-conjugated systems;The Journal of Chemical Physics;2009-08-28
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