QCISD(T) 207, 208 QCPE (Quantum Chemistry Program Exchange) 173 QM/MM model 262 QSAR (Quantitative Structure and Activity Relations) 56 QST (Quadratic Synchronous Transit) [Pg.176]

D. S. Stephenson, G. Binsh, DNMR5, Quantum Chemistry Program Exchange QCPE 365. Modified by [Pg.75]

Lohr, L. L., Hotokka, M., Pyykkd, P. Quantum Chemistry Program Exchange, QCPE, 72, 387 (1980) [Pg.262]

Computational chemists deal with information. We use computers to calculate numbers and compare our numbers to experimental data, when available. To perform our calculations we need computer programs. In the realm of programs, one of the great boons to theoretical and computational chemists, especially in the earlier days of the field, was the Quantum Chemistry Program Exchange (QCPE). [Pg.330]

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