Electronic Delocalization in Coordination Polymers Based on Bimetallic Carboxylates-Reference-Cited by-同舟云学术

Electronic Delocalization in Coordination Polymers Based on Bimetallic Carboxylates

Published:2013-05-16 Issue:6 Volume:9 Page:2609-2616
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Castro María Ana¹,Roitberg Adrián E.²,Cukiernik Fabio D.¹

Affiliation:

1. INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón II, Ciudad Universitaria, C1428EHA Buenos Aires, Argentina

2. Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400179t

Reference90 articles.

1. Charge Ordering with Lattice Distortions in a Conductive MMX-Chain Complex, Pt2(dta)4I (dta = CH3CS2-)

2. A Conducting Coordination Polymer Based on Assembled Cu9 Cages

3. Syntheses, Structures and Solid-State Properties of MMX Mixed-Valence Chains, [NiII/III2(RCS2)4I]∞ (R = Et, n-Pr and n-Bu): Evidence of a Spin-Peierls Transition

4. Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations

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