Abstract
All calculations performed at the school are of the LCAO-MO-SCF or LCAO-MO-SCF-CI type. The calculations were performed using a program (MONSTERGAUSS (1)) which uses as atomic orbital s (AO) or basis functions, the Gaussian function.
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References
Monstergauss: M. R. Peterson and R. A. Poirier, Department of Chemistry, University of Toronto, Toronto, Canada.
S. F. Boys: 1950, Proc. Roy. Soc. (London), A200, pp. 542.
W. J. Hehre, R. F. Stewart and J. A. Pople: 1969, J. Chem. Phys., 51, pp. 2657.
W. J. Hehre, R. Ditchfield, R. F. Stewart and J. A. Pople: 1970, J. Chem. Phys., 52, pp. 2769.
E. Clementi and D. R. Raimondi: 1963, J. Chem. Phys., 38, pp. 2686.
R. F. Stewart: 1969, J. Chem. Phys., 52, pp. 431.
R. Ditchfield, W. J. Hehre and J. A. Pople: 1971, J. Chem. Phys., 54, pp. 724.
W. J. Hehre, R. Ditchfield and J. A. Pople: 1972, J. Chem. Phys., 56, pp. 2257.
W. J. Hehre and J. A. Pople: 1972, J. Chem. Phys., 56, pp. 4233.
W. J. Hehre and W. A. Lathan: 1972, J. Chem. Phys., 56, pp. 5255.
P. C. Hariharan and J. A. Pople: 1973, Theoret. Chim. Acta (Berl.), 28, pp. 213.
J. D. Dill and J. A. Pople: 1975, J. Chem. Phys., 62, pp. 2921.
J. S. Binkley and J. A. Pople: 1977, J. Chem. Phys., 66, pp. 879.
J. B. Collins, P. v. R. Schleyer, J. S. Binkley and J. A. Pople: 1976, J. Chem. Phys., 64, pp. 5142.
P. Pulay, G. Fogarasi, F. Pang and J. E. Boggs: 1979, J. Am. Chem. Soc, 101, pp. 2550.
J. S. Binkley, J. A. Pople and W. J. Hehre: 1980, J. Am. Chem. Soc., 102, pp. 939.
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro and W. J. Hehre: 1980, J. Am. Chem. Soc, 102, pp. xx.
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© 1981 D. Reidel Publishing Company, Dordrecht, Holland
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Poirier, R.A. (1981). Gaussian Basis Sets. In: Csizmadia, I.G., Daudel, R. (eds) Computational Theoretical Organic Chemistry. NATO Advanced Study Institutes Series, vol 67. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-8472-1_2
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DOI: https://doi.org/10.1007/978-94-009-8472-1_2
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