CCL: Computational Chemistry Highlight: May issue



The May issue of http://www.compchemhighlights.org/2017_05_01_archive.html">Computational Chemistry Highlights is out.


CCH is an overlay journal that identifies the most important papers in computational and theoretical chemistry published in the last 1-2 years. CCH is not affiliated with any publisher: it is a free resource run by scientists for scientists. You can read more about it here.


Table of content for this issue features contributions from Steven Bachrach,  Amelia Fitzsimmons, and Jan Jensen:


Synthesis of a carbon nanobelt


Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic Reactions


Progress in DFT development and the density they predict


Puckering Energetics and Optical Activities of [7]Circulene Conformers


Empirical D3 dispersion as a replacement for ab initio dispersion terms in density functional theory-based symmetry-adapted perturbation theory



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