Browsing by Author "Krishnamachari, S. L. N. G"

Now showing items 2-3 of 3

Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2 CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules

Chaudhuri, R. K; Krishnamachari, S. L. N. G (American Chemical Society, 2008-05)

The adiabatic energies, vibrational frequencies, and geometries of the ground and excited electronic states of formylcarbene and the triplet electronic states of ketene are calculated employing the state-of-the art ab ...
Theoretical Study on the Ground and Excited States of Dicyanocarbene (C3N2) and Its Isomers: A Low-Temperature Matrix Emission Spectrum Attributable to 3-Cyano-2H-azirenylidene

Chaudhuri, R. K; Krishnamachari, S. L. N. G (American Chemical Society, 2007-05)

Ab initio calculations are used to characterize the ground and low lying excited electronic states of selected dicyanocarbene (C3N2 or C(CN)2) isomers. Our calculated ground state geometries and the corresponding vibrational ...

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