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Density Functional Theory calculations at the University of Texas al El Paso

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March 2020

Water Cluster Anion Work is on the PCCP Cover

Submitted by yyamamoto on Wed, 03/04/2020 - 20:28

Our recent work of water cluster anion was featured on the journal cover art.

Physical Chemistry Chemical Physics 21 February 2020, Issue 7

Link to the article

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Multi-chromophoric organic heptad antenna

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Water cluster anions: assessing the effect of self-interaction errors in negatively charged water molecules. Journal cover.

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Electronic structure research team (2020)

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Electronic structure research group team

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Electronic Structure Lab work highlighted by Department of Energy

admin's picture
Submitted by admin on Sat, 03/28/2020 - 11:16
image courtesy of Central Michigan University

Current work by the lab has been highlighted in a publication by the Department of Energy with the title: "Resolving the Self-Interaction Correction Paradox in Molecular Modeling"

Link to the article can be found here.

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  • DOE
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