학술논문

Heisenberg Hamiltonian for poly-ynes. Extraction and tests
Document Type
Academic Journal
Source
Journal of Physical Chemistry A. April 5, 2001, Vol. 105 Issue 13, p3365, 6 p.
Subject
Chemical bonds -- Research
Hamiltonian function -- Usage
Chemicals, plastics and rubber industries
Language
English
ISSN
1089-5639
Abstract
Heisenberg Hamiltonian is widely used for the study of the covalent sates of conjugated molecules and their photochemistry. An extension to the CC triple bonds or to their two pi bonds is presented.