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Collect. Czech. Chem. Commun. 1990, 55, 1399-1403

MNDO and AM1 study of molecular geometries in excited states

Peter Ertl

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

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  • Kakkar Rita, Sarma Bhupendra K.: Theoretical study of the excited singlet and triplet states of alloxan. Int J of Quantum Chemistry 2002, 86, 502. <>
  • Kakkar Rita, Katoch Vandana: Theoretical study of the excited state intramolecular proton transfer in barbituric acid. Journal of Molecular Structure: THEOCHEM 2002, 578, 169. <>
  • 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. <>
  • Sumathi R., Chandra A. K.: Photodecomposition of acetyl chloride on the excited singlet state surface. The Journal of Chemical Physics 1993, 99, 6531. <>
  • 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. <>
  • 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. <>
  • Ertl Peter: Energies of excited states calculated with MNDO and AM1. Monatsh Chem 1991, 122, 1015. <>