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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Jacek Dziedzic

3 results in Authors: Jacek Dziedzic

Theoretical and Computational Chemistry

A Practical Approach to Large Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling DFT

Jacek Dziedzic, Arihant Bhandari, Lucian Anton, Chao Peng, James Womack, marjan famili, Denis Kramer, Chris-Kriton Skylaris

Version 1 posted 29 January 2020

770

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1

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Physical Chemistry

Electronic Structure Calculations in Electrolyte Solutions: Methods for Neutralization of Extended Charged Interfaces

Arihant Bhandari, Lucian Anton, Jacek Dziedzic, Chao Peng, Denis Kramer, Chris-Kriton Skylaris

Version 1 posted 09 July 2020

299

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Biological and Medicinal Chemistry

The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?

Richard T Bradshaw, Jacek Dziedzic, Chris-Kriton Skylaris, Jonathan W. Essex

Version 1 posted 25 February 2020

616

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