Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT Benchmarks-Reference-Cited by-同舟云学术

Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT Benchmarks

Published:2010-12-29 Issue:2 Volume:7 Page:369-376
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jacquemin Denis¹,Adamo Carlo¹

Affiliation:

1. Laboratoire CEISAM − UMR CNR 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3, France, and Ecole Nationale Supérieure de Chimie de Paris, Laboratoire Electrochimie et Chimie Analytique, UMR CNRS-ENSCP no. 7575, 11, rue Pierre et Marie Curie, F-75321 Paris Cedex 05, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct1006532

Reference49 articles.

1. Bond length alternation and energy gap in (CH)x. Application of the intermediate exciton formalism

2. Relationship between band gap and bond length alternation in organic conjugated polymers

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

4. Conjugated polymers and oligomers: Designing novel materials using a quantum-chemical approach

5. Molecular Engineering of the Band Gap of π-Conjugated Systems: Facing Technological Applications

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