Computational Chemistry Highlights: November issue

The November 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, David Bowler, and Jan Jensen:

Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions

Isotope Effects, Dynamic Matching, and Solvent Dynamics in a Wittig Reaction. Betaines as Bypassed Intermediates

Energy-conserving ab initio molecular dynamics

Solution-Phase Dimerization of an Oblong Shape-Persistent Macrocycle

Theoretical Foundation for the Presence of Oxacarbenium Ions in Chemical Glycoside Synthesis

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