QM/MM, 198-205, 367 QSAR (quantitative structure activity relationship), 108, 114, 367. See also Structure-activity relationships QSPR (quantitative structure property relationship), 108, 308, 314, 367. See also Structure-activity relationships Quadratic configuration interaction, see QCI [Pg.378]

Quadratic synchronous transit (QST), 153 Quadrupole moment, 110 Quantitative structure activity relationship, see QSAR Quantitative stixicture property relationship, see QSPR Quantum mechanics, 10-12, 367. See also ab initio, Semiempirical Quantum Monte Carlo (QMC), 26-27, 219, 367. See also Correlation, ab initio time complexity, 130 Quasiclassical calculation, 168 Quasi-Newton, 70, 131, 152 [Pg.378]

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