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Collect. Czech. Chem. Commun. 1990, 55, 1399-1403
https://doi.org/10.1135/cccc19901399

MNDO and AM1 study of molecular geometries in excited states

Peter Ertl

Chemistry Institute, Comenius University, Mlynská dolina CH-2, 842 15 Bratislava

Crossref Cited-by Linking

  • Kakkar Rita, Sarma Bhupendra K.: Theoretical study of the excited singlet and triplet states of alloxan. Int. J. Quantum Chem. 2002, 86, 502. <https://doi.org/10.1002/qua.1190>
  • Kakkar Rita, Katoch Vandana: Theoretical study of the excited state intramolecular proton transfer in barbituric acid. Journal of Molecular Structure: THEOCHEM 2002, 578, 169. <https://doi.org/10.1016/S0166-1280(01)00699-6>
  • Smedarchina Z., Enchev V.: Comparative theoretical study of intramolecular proton transfer in the photochemical cycles of 2-(2′-hydroxyphenyl)benzoxazole and 5,8-dimethyl-1-tetralone. Journal of Photochemistry and Photobiology A: Chemistry 1994, 80, 135. <https://doi.org/10.1016/1010-6030(93)01022-T>
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  • Peluso Andrea, Adamo Carlo, Del Re Giuseppe: A theoretical analysis of excited state proton transfer in 3-hydroxyflavone. Promoting effect of a low frequency bending mode. J Math Chem 1992, 10, 249. <https://doi.org/10.1007/BF01169177>
  • Aßmann Lutz, Palm Ludger, Friedrichsen Willy, Zander Maximilian: 3-Methyl-4,6-diphenylfuro[3,4-d]isoxazol – Ein neues heterocyclisches System. Chem. Ber. 1991, 124, 2481. <https://doi.org/10.1002/cber.19911241119>
  • Ertl Peter: Energies of excited states calculated with MNDO and AM1. Monatsh Chem 1991, 122, 1015. <https://doi.org/10.1007/BF00811109>