Influence of Benzoannulation on the Molecular and Electronic Structures of Tetracyanoquinodimethanes

6533b85efe1ef96bd12c059d

RESEARCH PRODUCT

Influence of Benzoannulation on the Molecular and Electronic Structures of Tetracyanoquinodimethanes

Enrique Ortí Pedro M. Viruela And Rafael Viruela

subject

Computational chemistry Chemistry General Engineering Ab initio Physical and Theoretical Chemistry

description

The molecular and electronic structures of TCNQ and its π-extended derivatives benzo-TCNQ and TCAQ have been investigated using the semiempirical PM3 method and ab initio 6-31G* calculations. The s...

year	journal	country	edition	language
1996-01-01	The Journal of Physical Chemistry

https://doi.org/10.1021/jp952820h

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