caa a22 4500 465818684 CHVBK 20180323112129.0 cr unu---uuuuu 170327e19900901xx s 000 0 eng 10.1007/BF01120134 doi (NATIONALLICENCE)springer-10.1007/BF01120134 MRINDO/S-CI calculation on the electronic spectra of higher azines [Elektronische Daten] [R. Prasad, B. Rai] Summary: MRINDO/S calculation completed by singly excited configuration interaction was performed on the higher aziness-triazine,s-tetrazine and pentazine. The results enable the main characteristics of the observed electronic spectra to be interpreted. The importance of outer (Rydberg) atomic orbitals is stressed and it is found that a few singlet-singlet transitions of the higher azines lead to an excited state with considerable Rydberg character. Springer-Verlag, 1990 Spectroscopic MRINDO/S nationallicence s -Triazine nationallicence s -Tetrazine nationallicence Pentazine nationallicence Prasad R. Department of Physics, M.D. College, Naubatpur, Patna, India aut Rai B. Department of Physics, S.B. College, Arrah, India aut Theoretica chimica acta Springer-Verlag 77/5(1990-09-01), 343-357 0040-5744 77:5<343 1990 77 214 https://doi.org/10.1007/BF01120134 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01120134 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Prasad R. Department of Physics, M.D. College, Naubatpur, Patna, India aut NATIONALLICENCE 700 1- Rai B. Department of Physics, S.B. College, Arrah, India aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 77/5(1990-09-01), 343-357 0040-5744 77:5<343 1990 77 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer