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Theoretical and Computational Chemistry

(3)

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(3)

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Over 3 years

(3)

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Roy E. Bruns

3 results in Authors: Roy E. Bruns

Theoretical and Computational Chemistry

Are GAPT Charges Really Charges?

Wagner Richter, Leonardo J. Duarte, Roy E. Bruns

Version 1 posted 16 March 2021

341

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Theoretical and Computational Chemistry

Unavoidable Failure of Point Charge Descriptions of Electronic Density Changes for Out-of-Plane Distortions

Wagner Richter, Leonardo J. Duarte, Roy E. Bruns

Version 1 posted 11 May 2021

222

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Theoretical and Computational Chemistry

Broad and Comprehensive Approach to Evaluate Infrared Intensities at Atomic Level: The AC/DC Analysis

Wagner Richter, Leonardo Duarte, Luciano N. Vidal, Roy E. Bruns

Version 1 posted 03 September 2020

300

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