Concepedia

Thomas J. Duignan

TJ

Statistics

Publications

11

Citations

510

H-Index

11

Active since

2016

Affiliations

University at Buffalo, State University of New York(Current)

Los Alamos National Laboratory

State University of New York

Buffalo BioLabs

University of Rochester

Thomas J. Duignan is an author at University at Buffalo, State University of New York specializing in natural sciences, chemistry, and physics.

Top concepts

Natural SciencesPhysicsChemistryEngineeringQuantum ChemistryPhysical ChemistryComputational ChemistryOmicsMedicineBiophysics

Publications per year

2016–2024

11

Publications

11

A diuranium carbide cluster stabilized inside a C80 fullerene cage

Xingxing Zhang, Wan‐Lu Li, Lai Feng et al. · Nature Communications · 2018 · 92 citations · Full text

The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

Wayne W. Lukens, Manfred Speldrich, Ping Yang et al. · Dalton Transactions · 2016 · 79 citations · Full text

Ab Initio Study of Covalency in the Ground versus Core-Excited States and X-ray Absorption Spectra of Actinide Complexes

Dumitru‐Claudiu Sergentu, Thomas J. Duignan, Jochen Autschbach · The Journal of Physical Chemistry Letters · 2018 · 78 citations · Full text

Impact of the Kohn–Sham Delocalization Error on the 4f Shell Localization and Population in Lanthanide Complexes

Thomas J. Duignan, Jochen Autschbach · Journal of Chemical Theory and Computation · 2016 · 68 citations

Kohn–sham Delocalization Error, Engineering, Computational Chemistry +17

PLINDER: The protein-ligand interactions dataset and evaluation resource

Janani Durairaj, Yusuf Adeshina, Zhonglin Cao et al. · 2024 · 52 citations · Full text

Protein-ligand Interactions Dataset, Diverse Pli Dataset, Information Leakage +17

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