The Controversial Ground State of Tetramethyleneethane. An ab Initio CI Study-Reference-Cited by-同舟云学术

The Controversial Ground State of Tetramethyleneethane. An ab Initio CI Study

Published:2000-06-10 Issue:26 Volume:104 Page:6253-6258
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rodríguez E.¹,Reguero M.¹,Caballol R.¹

Affiliation:

1. Departament de Química Física i Inorgànica i Institut d'Estudis Avançats, Universitat Rovira i Virgili, Pl. Imperial Tarraco 1., 43005-Tarragona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp000278d

Reference45 articles.

1. Specific CI calculation of energy differences: Transition energies and bond energies

2. Theoretical study of the ethylene electronic spectrum and extraction of an r-dependent Hubbard Hamiltonian

3. Singlet-triplet energy gap in halogen-substituted carbenes and silylenes: a difference-dedicated configuration interaction calculation

4. Ab Initio Study of Ullman's Nitroxide Biradicals. Exchange Coupling versus Structural Characteristics Analysis

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