A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations-Reference-Cited by-同舟云学术

A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations

Author:

Loco Daniele¹,Polack Étienne²³,Caprasecca Stefano¹,Lagardère Louis²⁴,Lipparini Filippo⁵,Piquemal Jean-Philip²⁶⁷,Mennucci Benedetta¹

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi 13, I-56124 Pisa, Italy

2. Sorbonne Universités, UPMC Univ. Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005, Paris, France

3. Sorbonne Universités, UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005, Paris, France

4. Sorbonne Universités, UPMC Univ. Paris 06, Institut du Calcul et de la Simulation, F-75005, Paris, France

5. Institut für Physikalische Chemie, Universität Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany

6. CNRS, UMR 7598 and 7616, F-75005, Paris, France

7. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA

Funder

Agence Nationale de la Recherche

European Research Council

Alexander von Humboldt-Stiftung

Direction Générale de l'Armement

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference59 articles.

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