CCL: Computational Chemistry Highlights: May issue



The May issue of 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 CCH editors Steven Bachrach, Tobias Schwabe, and and Jan Jensen:


Navigating molecular space for reaction mechanisms: an efficient, automated procedure


Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60


Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures


Chromophore−Protein Coupling beyond Nonpolarizable Models: Understanding Absorption in Green Fluorescent Protein


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