List

Ismael contributes to a paper published in Nature Communications

 August 27, 2024 |  abrown |  Group members, Publications |  

Congratulations to Ismael for appearing as a co-author on the paper “An enantioselective and modular platform for C4ʹ-modified nucleoside analogue synthesis enabled by intramolecular trans-acetalizations” published in Nature Communications. Ismael contributed computational studies of reaction mechanisms to the work driven by the lab of Prof. Mike Meanwell (Alberta).

  Category: Publications

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August 27th, 2024

Ismael contributes to a paper published in Nature Communications

Congratulations to Ismael for appearing as a co-author on the paper “An enantioselective and modular platform for C4ʹ-modified nucleoside analogue […]
August 21st, 2024

Ismael paper accepted into J. Phys. Chem. A

Ismael’s paper studying non-degenerate 2PA in fluorescent protein chromophores using TD-DFT and RI-CC2 approaches is accepted into J. Phys. Chem. […]
July 12th, 2024

Mack’s second paper accepted into PCCP

Congratulations to Mack whose second paper from his MSc “An investigation into transition states of cyclic tetra-atomic silicon and germanium […]
June 17th, 2024

Mack’s first first author paper accepted into JPCA

Mack’s first first author paper (in collaboration with Prof. Mariusz Klobukowski) is accepted for publication in J. Phys. Chem. A. […]
June 12th, 2024

Nathanael and Ian’s paper is accepted into JCC

Congratulations to Nathanael and Ian whose paper “A Variant on the CREST iMTD Algorithm for Non-Covalent Clusters of Flexible Molecules” […]
April 19th, 2024

Ismael, Laura, and Rodrigo’s paper on benchmarking for 2PA cross- sections is accepted in JCTC

Congratulations to Ismael, Rodrigo, and Laura as their paper Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption is accepted […]
January 19th, 2024

Another collaborative paper with Gabriel!

Alex contributes to a benchmark paper in Phys. Chem. Chem. Phys. entitled “A density functional theory benchmark on anti-oxidant-related properties […]
November 3rd, 2023

Shyam’s paper with Ben and Juli is published in J. Chem. Phys.

Congratulations ot Shyam on his paper in J. Chem. Phys. with Prof. Juli Gibbs and Dr. Ben Rehl! The paper […]
October 23rd, 2023

Another collaborator paper with Gabriel de Souza

Alex contributes to another collaborative paper with his long-time collaborator from Brazil Gabriel de Souza The paper “On the photoinduced […]
September 15th, 2023

Mack and Antoine’s collaborative paper with Otero-de-la-Roza and DiLabio published

Congratulations to Mack and Antoine on their paper “Accurate Potential Energy Surfaces Using Atom-Centered Potentials and Minimal High-Level Data” published […]