Peter Reinhardt

Sorbonne Université - Paris / France

Natural Sciences / Chemical Sciences

AD Scientific Index ID: 920015

Sorbonne University

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Sorbonne Université

Peter Reinhardt's MOST POPULAR ARTICLES

1-) Towards a force field based on density fitting The Journal of chemical physics 124 (10), 2006

2-) Polarizable molecular dynamics simulation of Zn (II) in water using the AMOEBA force field Journal of chemical theory and computation 6 (7), 2059-2070, 2010

3-) Quantum package 2.0: An open-source determinant-driven suite of programs Journal of chemical theory and computation 15 (6), 3591-3609, 2019

4-) Electronic and geometrical structure of rutile surfaces Physical Review B 50 (16), 12015, 1994

5-) Fragment-Localized Kohn− Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis Journal of Chemical Theory and Computation 4 (12), 2020-2029, 2008

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