Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics-Reference-Cited by-同舟云学术

Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics

Published:2015-08-18 Issue:9 Volume:11 Page:4109-4118
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Barborini Matteo¹²,Guidoni Leonardo²

Affiliation:

1. Dipartimento di Ingegneria e Scienze dell’Informazione e Matematica, Università degli studi dell’Aquila, Via Vetoio (Coppito), 67100 L’Aquila, Italy

2. Dipartimento di Scienze Fisiche e Chimiche, Università degli studi dell’Aquila, Via Vetoio (Coppito), 67100 L’Aquila, Italy

Funder

European Commission

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00427

Reference73 articles.

1. Synthesis, processing and properties of conjugated polymer networks

2. Optical Bandgaps of π-Conjugated Organic Materials at the Polymer Limit: Experiment and Theory

3. The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene

4. Optical Saturation Driven by Exciton Confinement in Molecular Chains: A Time-Dependent Density-Functional Theory Approach

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