Controversial electronic structures and energies of Fe2, ${\rm Fe}_2^ +$ Fe 2+, and ${\rm Fe}_2^ -$ Fe 2− resolved by RASPT2 calculations-Reference-Cited by-同舟云学术

Controversial electronic structures and energies of Fe2, ${\rm Fe}_2^ +$ Fe 2+, and ${\rm Fe}_2^ -$ Fe 2− resolved by RASPT2 calculations

Published:2014-11-26 Issue:20 Volume:141 Page:204309
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Hoyer Chad E.¹,Manni Giovanni Li¹,Truhlar Donald G.¹,Gagliardi Laura¹

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA

Funder

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4901718

Reference55 articles.

1. Gas phase reactions of iron clusters with hydrogen. I. Kinetics

2. The reaction of iron clusters with ammonia. I. Compositions of the ammoniated products and their implications for cluster structure

3. The reactions of iron clusters with water

4. Guided ion-beam studies of the reactions of Fen+ (n=1–18) with CO2: Iron cluster oxide bond energies

5. Thermochemistry of the activation of N2 on iron cluster cations: Guided ion beam studies of the reactions of Fen+ (n=1–19) with N2

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