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Items where Author is "Boggs, James E."

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Pulay, Peter and Fogarasi, Géza and Pongor, Gábor and Boggs, James E. and Vargha, Anna (1983) Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene. Journal of the American Chemical Society, 105 (24). pp. 7037-7047. ISSN 0002-7863 (print), 1520-5126 (online)

Pulay, Peter and Fogarasi, Géza and Pang, Frank and Boggs, James E. (1979) Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives. Journal of the American Chemical Society, 101 (10). pp. 2550-2560. ISSN 0002-7863 (print), 1520-5126 (online)

This list was generated on Tue Dec 23 06:08:40 2014 CET.