Gregory J O Beran

36PUBLICATIONS
101CO-AUTHORS
Organic semiconductorsNonlinear optics and spectroscopyTheoretical quantum chemistryBiomolecular modelling and designTheory and design of materials
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Publications (36)

|Sep 25, 2026
Polymorph selection at the surface of organic semiconductor glasses.

|Sep 15, 2026
NMR crystallography reveals active-site protonation states of Toho-1 β-lactamase in complex with avibactam.

|Aug 18, 2026
Demystifying density functional theory for the crystal engineering community.

|Nov 10, 2025
From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal forms.

Gregory J O Beran

|Oct 15, 2025
Lattice Energy Partitions in Crystals of Flexible Molecules and the 40% Limit.

Amrita Chattopadhyay, Adam R Hill, Sarah E Wright

|Aug 02, 2025
Radical-Initiated Photodissociation at Tryptophan Residues within Intact Proteins in the Gas Phase.

Lin He, Aidan G Purcell, Gregory J O Beran

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Frequent Collaborators

5 joint publications

Leonard J Mueller

3 joint publications

Ctirad Červinka

3 joint publications

Christopher J Bardeen

3 joint publications

Ryan R Julian