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Physical Chemistry

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Theoretical and Computational Chemistry

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Hirshfeld

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3 results in Keywords: Hirshfeld

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

224

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Theoretical and Computational Chemistry

Are GAPT Charges Really Charges?

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

Version 1 posted 16 March 2021

345

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Theoretical and Computational Chemistry

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen

Version 2 posted 06 December 2021

3,968

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1

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