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Barry D Dunietz

10PUBLICATIONS

142CO-AUTHORS

Theoretical quantum chemistryMathematical aspects of general relativityLasers and quantum electronicsData structures and algorithmsMain group metal chemistry

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Publications (10)

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|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Jul 09, 2021

Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation.

Ellen Mulvihill, Kristina M Lenn, Xing Gao

|Jul 09, 2021

Three-state harmonic models for photoinduced charge transfer.

Dominikus Brian, Zengkui Liu, Barry D Dunietz

|Jul 09, 2021

CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials.

Jacob Tinnin, Huseyin Aksu, Zhengqing Tong

|Oct 09, 2020

Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study.

Huseyin Aksu, Buddhadev Maiti, Marcin Ptaszek

|Oct 02, 2020

Erratum: "Charge transfer rate constants for the carotenoid-porphyrin-C<sub>60</sub> molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation" [J. Chem. Phys. 153, 044105 (2020)].

Zhengqing Tong, Xing Gao, Margaret S Cheung

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Frequent Collaborators

8 joint publications

Eitan Geva

6 joint publications

Xiang Sun

4 joint publications

Alexander Schubert

4 joint publications

Xing Gao

3 joint publications

Zhengqing Tong

3 joint publications

Margaret S Cheung

2 joint publications

Ellen Mulvihill

1 joint publications

Alexei A Kananenka

1 joint publications

Yudan Liu

1 joint publications

Marcin Ptaszek

Frequent Collaborators

8 joint publications

Eitan Geva

6 joint publications

Xiang Sun

4 joint publications

Alexander Schubert

4 joint publications

Xing Gao

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