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Theoretical and Computational Chemistry

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CHELPG

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2 results in Keywords: CHELPG

Theoretical and Computational Chemistry

Are GAPT Charges Really Charges?

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

Version 1 posted 16 March 2021

300

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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

191

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