Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5385779 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
The equilibrium structural parameters for singlet diradicaloid systems (such as CH2, m-benzyne and 2,6-pyridyne) have been studied with the SS-MRMPPT gradient approach. Estimation of selective equilibrium structural parameters of singlet diardicaloid systems.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Sudip Chattopadhyay, Uttam Sinha Mahapatra, Rajat K. Chaudhuri,