Stabilities of nitrogen containing heterocyclic radicals were studied to detect radicals of the type R-N-R, and to theoretically rationalize their electronic structure. The computation of simple potential energy surfaces for ground and excited states is discussed along with the photophysical properties of indolizine. Methods of calculation and problems associated with the calculations are presented. Results, tables, diagrams, discussions, and references are included
International audienceA fundamental question in the field of astro-chemistry is whether the molecule...
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907; National R...
International audience: The gas phase structure and excited state dynamics of o-aminophenol–H2O comp...
Theoretical and experimental work on generating radicals by removal of a hydrogen atom from pyrrole,...
Ground and excitated states of planar and distorted configurations of organic molecule
Radical stabilization energies (RSEs) for a wide variety of nitrogen-centered radicals and their pro...
Photochemistry of nitrogen-based heterocyclic radicals plays a vital role in our understanding of th...
The performances of a number of theoretical methods in the calculation of N-H bond dissociation ener...
Polycyclic aromatic hydrocarbons (PAHs) are the most abundant type of molecule present in the inters...
Abstract. Nitrogen-containing cyclic organic molecules (N-heterocycles) play important roles in terr...
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907Resonance st...
Results are presented from ab initio calculations on the ground and two low-lying excited states of ...
The $D_0 \leftarrow D_1$ transitions of many aromatic resonance stabilised radicals (RSRs) have been...
Quantum mechanical study of molecules - prediction of ground, ionized, and excited states of unknown...
Radical cations of polycyclic aromatic hydrocarbons have been postulated to be molecular carriers of...
International audienceA fundamental question in the field of astro-chemistry is whether the molecule...
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907; National R...
International audience: The gas phase structure and excited state dynamics of o-aminophenol–H2O comp...
Theoretical and experimental work on generating radicals by removal of a hydrogen atom from pyrrole,...
Ground and excitated states of planar and distorted configurations of organic molecule
Radical stabilization energies (RSEs) for a wide variety of nitrogen-centered radicals and their pro...
Photochemistry of nitrogen-based heterocyclic radicals plays a vital role in our understanding of th...
The performances of a number of theoretical methods in the calculation of N-H bond dissociation ener...
Polycyclic aromatic hydrocarbons (PAHs) are the most abundant type of molecule present in the inters...
Abstract. Nitrogen-containing cyclic organic molecules (N-heterocycles) play important roles in terr...
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907Resonance st...
Results are presented from ab initio calculations on the ground and two low-lying excited states of ...
The $D_0 \leftarrow D_1$ transitions of many aromatic resonance stabilised radicals (RSRs) have been...
Quantum mechanical study of molecules - prediction of ground, ionized, and excited states of unknown...
Radical cations of polycyclic aromatic hydrocarbons have been postulated to be molecular carriers of...
International audienceA fundamental question in the field of astro-chemistry is whether the molecule...
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907; National R...
International audience: The gas phase structure and excited state dynamics of o-aminophenol–H2O comp...