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Alex’s collaborative paper with the Rivard (Alberta) and the Müller-Buschbaum (Munich) research groups is published in and makes the cover of Macromolecular Rapid Communications. The paper is titled “Bandgap-Tuning in Triple-Chalcogenophene Polymer Films by Thermal Annealing” and Alex’s contribution was TD-DFT computations for units of the polymer.

Gonz-lez_et_al-2017-Macromolecular_Rapid_Communications_cover

  Category: Publications

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June 14th, 2017

Paper with Rivard and Müller-Buschbaum groups makes cover of MRC

Alex’s collaborative paper with the Rivard (Alberta) and the Müller-Buschbaum (Munich) research groups is published in and makes the cover of Macromolecular Rapid […]

June 3rd, 2017

Alex and Ekadashi’s review accepted into JTCC

Alex and Ekadashi’s review “Fitting potential energy surfaces to sum-of-products form with neural networks using exponential neurons” is accepted for […]

February 28th, 2017

Alex’s paper with Rivard and Müller-Buschbaum groups accepted for publication

Alex’s collaborative paper with the Rivard (Alberta) and the Müller-Buschbaum (Munich) research groups has been accepted for publication in Macromolecular Rapid […]

December 10th, 2016

Congratulations to Shuai on publication of his paper

The final chapter of Shuai’s thesis “Effects of Hydrogen Bonding with H2O on the Resonance Raman Spectra of Uracil and […]

November 1st, 2016

Mohammed S.’s paper with Campbell group accepted into ChemBioChem

Mohammad S. contributed some nice computational interpretation to the paper “A tandem green-red heterodimeric fluorescent protein with high FRET efficiency” […]

October 13th, 2016

Congratulations to Mohammad M. on sole author paper in JCTC

Congratulations to Mohammad M. for his sole author paper “Intramolecular Singlet Fission in Quinoidal Bi- and Tetrathiophenes: A Comparative Study […]

August 9th, 2016

Mohammad and Isaac’s paper accepted into PCCP

Congratulations to Mohammad and Isaac whose paper “Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical […]

June 21st, 2016

Congratulations to Ekadashi whose paper is accepted into J. Mol. Spectrosc.

Ekadashi’s paper entitled “Neural Network Exponential Fitting of a Potential Energy Surface with Multiple Minima: Application to HFCO” has been […]

June 13th, 2016

Congratulations to Gabriel whose paper is accepted into Theor. Chem. Acc.

Former post-doctoral fellow Gabriel de Souza’s paper entitled “The Ground and Excited States of HBrO2 [HOOBr, HOBrO, and HBr(O)O] and […]

April 20th, 2016

Paper with Ekadashi accepted into JCP

Congratulations to Ekadashi whose paper “Vibrational Energies for HFCO using a Neural Network Sum of Exponentials Potential Energy Surface” was […]