Prediction of gas-phase 13C nuclear magn
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M. Tafazzoli; H. Shaghaghi; M. Jalali-Heravi
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Article
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2008
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John Wiley and Sons
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English
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## Abstract The wave functions for calculating gasโphase ^13^C nuclear magnetic shielding constants of 22 molecules have been optimally selected using factorial design as a multivariate technique. GIAO and CSGT methods were used for computation of shielding constants. Different wave functions for d