Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe2+-Reference-Cited by-同舟云学术

Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe2+

Published:2013-06-19 Issue:7 Volume:9 Page:3062-3071
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Semrouni David¹,Isley William C.¹,Clavaguéra Carine²,Dognon Jean-Pierre³,Cramer Christopher J.¹,Gagliardi Laura¹

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455, United States

2. Laboratoire des Mécanismes Réactionnels, Département de Chimie, École Polytechnique, CNRS, 91128 Palaiseau Cedex, France

3. CEA/Saclay, UMR 3299 CEA/CNRS SIS2M, Laboratoire de Chimie de Coordination des Eléments f, F-91191 Gif-sur-Yvette, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400237r

Reference77 articles.

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5. Functional adaptations of oxygen-transport proteins.

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