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Theoretical and Computational Chemistry

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Niccolò Ricardi

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Theoretical and Computational Chemistry

The significance of negativity of the target density in Frozen-Density Embedding Theory based simulations

Niccolò Ricardi, Cristina Elizabeth González-Espinoza, Tomasz Adam Wesołowski

Version 1 posted 15 April 2022

86

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Theoretical and Computational Chemistry

Embedding non-rigid solutes in an averaged environment: a case study on rhodopsins

Niccolò Ricardi, Cristina Elizabeth González-Espinoza, Suliman Adam, Jonathan Church, Igor Schapiro, Tomasz Adam Wesolowski

Version 1 posted 09 November 2021

220

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