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Theoretical and Computational Chemistry

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Thomas-Christian Jagau

3 results in Authors: Thomas-Christian Jagau

Theoretical and Computational Chemistry

Combining Extrapolated Electron Localization Functions and Berlin’s Binding Functions for the Prediction of Dissociative Electron Attachment

Charlotte Titeca, Thomas-Christian Jagau, Frank De Proft

Version 2 posted 24 January 2024

278

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Theoretical and Computational Chemistry

Conceptual Density Functional Theory for Temporary Anions Stabilized by Scaled Nuclear Charges

Charlotte Titeca, Frank De Proft, Thomas-Christian Jagau

Version 1 posted 11 October 2022

121

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Theoretical and Computational Chemistry

A spin-flip variant of the second-order approximate coupled-cluster singles and doubles method

Garrette Pauley Paran, Cansu Utku, Thomas-Christian Jagau

Version 1 posted 12 October 2022

133

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