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, Christoph Jacob and Jan Jensen:
Enhancing NMR Prediction for Organic Compounds Using Molecular Dynamics
Tetrabenzo[a,f,j,o]perylene: A Polycyclic Aromatic Hydrocarbon With An Open-Shell Singlet Biradical Ground State
Molecular Dynamics of the Diels–Alder Reactions of Tetrazines with Alkenes and N2 Extrusions from Adducts
Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion
Switching between Aromatic and Antiaromatic 1,3-Phenylene-Strapped [26]- and [28]Hexaphyrins upon Passage to the Singlet Excited State
A Local Variant of the Conductor-Like Screening Model for Fragment-Based Electronic-Structure Methods
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, Christoph Jacob and Jan Jensen:
Enhancing NMR Prediction for Organic Compounds Using Molecular Dynamics
Tetrabenzo[a,f,j,o]perylene: A Polycyclic Aromatic Hydrocarbon With An Open-Shell Singlet Biradical Ground State
Molecular Dynamics of the Diels–Alder Reactions of Tetrazines with Alkenes and N2 Extrusions from Adducts
Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion
Switching between Aromatic and Antiaromatic 1,3-Phenylene-Strapped [26]- and [28]Hexaphyrins upon Passage to the Singlet Excited State
A Local Variant of the Conductor-Like Screening Model for Fragment-Based Electronic-Structure Methods
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This work is licensed under a Creative Commons Attribution 4.0
Also, for your daily computational chemistry fix subscribe to Computational Chemistry Daily
This work is licensed under a Creative Commons Attribution 4.0
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