Ismael and Macarena (former UARE intern) contribute computations on one-photon absorption and emission for a series of symmetrical and unsymmetrical […]

Ismael contributes some useful DFT computations to a paper lead out of the Lundgren group (Ualberta) “Cobalt/Photoredox-Catalyzed, Phosphine-Mediated Carbon Isotope […]

Ismael has another paper “Influence of Electron-Donating and Electron-Withdrawing Groups on One- and Two-Photon Absorption Properties on Modified Adenine and […]

A paper with Rodrigo and Nathanael, in collaboration with Mariusz Klobukowski (Alberta) and Rod Bartlett (Florida), entitled “cQTP25: A New […]

Ashton, in collaboration with Ismael, has his first paper “Beyond TD-DFT: Assessing the Bethe–Salpeter Equation within the GW Approximation for […]

A collaborative paper “Beneficial Role of Sacrificial Magnesium Anode Enables Electrochemical Precision Deutero-(Di)carboxylation for the Preparation of Deuterium-Labeled Medicinal Building […]

Jessica and Nathanael’s tutorial review “An Efficient Workflow for Generation of Conformational Ensembles of Density Functional Theory Quality: Dimers of […]

Ryan paper, with Ismael and Ian as co-authors, entitled “Tuning Maps for Two-Photon Absorption Cross Sections of Canonical and Noncanonical […]

Ismael’s paper, with Ryan as a co-author, entitled “Evaluating the Tamm–Dancoff Approximation for Two-Photon Absorption Properties” is accepted into J. […]

Clara, who was a visiting UARE research intern summer 2024, co-authors her first paper “Verdazyl-Based Radicals for High-Field Dynamic Nuclear […]