Polarized basis sets and the calculation of infrared intensities from nuclear electric shielding tensors

Author:

Wolinski Krzysztof,Roos Bj�rn O.,Sadlej Andrzej J.

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Reference30 articles.

1. Steele, D., Person, W. B. In: Specialist Periodical Report. Molecular Spectroscopy. Vol. 2, pp. 357?438. London: Chemical Society 1975; see also recent reviews in: Vibrational Intensities in Infrared and Raman Spectroscopy. Person, W. B., Zerbi, G. (eds.) Amsterdam: Elsevier 1982

2. Steele, D.: Adv. IR Raman Spectrosc. 1, 232 (1975)

3. John, I. G., Bacskay, G., Hush, N. S.: Chem. Phys. 51, 49 (1980) and references therein

4. Komornicki, A., McIver Jr., J. W.: J. Chem. Phys. 70, 2014 (1979); Komornicki, A., Jaffe, R. L.: J. Chem. Phys. 71, 2150 (1979); Carlowitz von, S., Ziel, W., Pulay, P., Boggs, J. E.: J. Mol. Struct. Teochem. 87, 113 (1982): Fredkin, D. R., Komornicki, A., White, S. R., Wilson, K. R.: J. Chem. Phys. 78, 7077 (1983)

5. Bacskay, G. B., Saebø, S., Taylor, P. R.: Chem. Phys. in the press

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