Correlation of the position of the bond functions in H-X with electronegativity |
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| Authors: | T. D. Metzgar T. Vladimiroff |
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| Affiliation: | (1) Propellants Division, Feltman Research Laboratory, Picatinny Arsenal, 07801 Dover, N.J., USA;(2) Present address: Process Development Department, General Atomic Company, P.O. Box 81608, 92138 San Diego, Ca., USA |
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| Abstract: | S type Gaussian bond functions are optimized for HF, H2O, NH3, and CH4. The optimization is carried out with respect to the exponent and position in the H-X bond. The position is found to correlate well with the electronegativity of Pauling and Allred-Rochow. |
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| Keywords: | Bond functions, optimized ∼ , for HF, H2O, NH3, CH4 |
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