High-Level ab Initio Predictions for the Ionization Energies and Heats of Formation of Five-Membered-Ring Molecules: Thiophene, Furan, Pyrrole, 1,3-Cyclopentadiene, and Borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH)-Reference-Cited by-同舟云学术

High-Level ab Initio Predictions for the Ionization Energies and Heats of Formation of Five-Membered-Ring Molecules: Thiophene, Furan, Pyrrole, 1,3-Cyclopentadiene, and Borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH)

Published:2011-01-06 Issue:5 Volume:115 Page:932-939
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lo Po-Kam¹,Lau Kai-Chung¹

Affiliation:

1. Department of Biology and Chemistry, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp110499c

Reference93 articles.

1. Cross-linking of DNA-binding Proteins to DNA with Psoralen and Psoralen Furan-side Monoadducts

2. Fine-tuning furan toxicity: fast and quantitative DNA interchain cross-link formation upon selective oxidation of a furan containing oligonucleotide

3. New conducting pyrrole–thiophene co-polymer from an oligomer precursor: electrochemical characterisation

4. Studies on Furan Polymer Concrete

5. Synthesis and photovoltaic properties of a low-band-gap polymer consisting of alternating thiophene and benzothiadiazole derivatives for bulk-heterojunction and dye-sensitized solar cells

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