ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
Molecular orbital calculations on the C4H2 potential energy surface indicate singlet trialene (1) not only to be thermodynamically unstable, but also to have negligible barriers to interconversion to diacetylene.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540020211
Permalink