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Pure Appl. Chem., 1985, Vol. 57, No. 1, pp. 121-147

http://dx.doi.org/10.1351/pac198557010121

PHYSICAL AND BIOPHYSICAL CHEMISTRY DIVISION
COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY

Test data for normal coordinate calculations

M. Tasumi and M. Nakata

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  • Rostkowska Hanna, Lapinski Leszek, Nowak Maciej J.: Analysis of the normal modes of molecules with D3h symmetry. Vib Spect 2009, 49, 43. <http://dx.doi.org/10.1016/j.vibspec.2008.04.012>
  • Matheson I.B.C., Matsuura Hiroatsu, Chau F.T.: A critical comparison of least absolute deviation fitting (robust) and least squares fitting: The importance of error distributions. Computers & Chemistry 1990, 14, 49. <http://dx.doi.org/10.1016/0097-8485(90)80008-P>
  • Sano Norimichi, Shimizu Masaaki, Tanaka Jiro, Tasumi Mitsuo: Raman and infrared studies on (5-dimethyl-aminopenta-2,4-dienylidene)dimethylammonium perchlorate. J Raman Spectrosc 1988, 19, 395. <http://dx.doi.org/10.1002/jrs.1250190605>
  • Del Re Giuseppe, Raeymaekers Paul, Figeys Hubert, Geerlings Paul, Cremer Dieter, Gauss J��rgen, Cremer Elfi: On the general theoretical foundations of methods for optimum hybrids. Journal of Molecular Structure: THEOCHEM 1988, 169, 487. <http://dx.doi.org/10.1016/0166-1280(88)80280-X>
  • Lopez-Gonzalez J.J., Cardenete A., Fernandez-Gomez A., Arenas J.F., Brassington N.J., Edwards H.G.M., Fawcett V., Baldacci A., Gambi A., Giorgianni S., Visinoni R., Ghersetti S.: A general quadratic force field for the diazirine molecule. Spectrochimica Acta Part A: Molecular Spectroscopy 1987, 43, 447. <http://dx.doi.org/10.1016/0584-8539(87)80131-9>