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Pure Appl. Chem., 1977, Vol. 49, No. 3, pp. 223-236

http://dx.doi.org/10.1351/pac197749030223

What can photochemists expect from ab initio calculations now and in the near future?

N. C. Baird

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  • Trentelman Karen A., Kable Scott H., Moss David B., Houston Paul L.: Photodissociation dynamics of acetone at 193 nm: Photofragment internal and translational energy distributions. J Chem Phys 1989, 91, 7498. <http://dx.doi.org/10.1063/1.457274>
  • Dewar Michael J. S., Fox Marye Anne, Campbell Kay A., Chen Chia-Chung, Friedheim James E., Holloway Mary K., Kim Shi Choon, Liescheski Phillip B., Pakiari Ali M., Tien Tze-Pei: Calculation of energies of excited states usingMNDO. J Comput Chem 1984, 5, 480. <http://dx.doi.org/10.1002/jcc.540050509>
  • Scholz Manfred: Chemie angeregter Zustände. XII. MO-Berechnungen zum Elektronenspektrum des Pyridin-N-Oxid - Eine kritische Analyse. J prakt Chem 1982, 324, 85. <http://dx.doi.org/10.1002/prac.19823240112>