Abstract
The results of EHT calculations on the most stable conformations of the neurotransmitter molecule acetylcholine (ACh) are reported. These results are compared with those obtained with other semiempirical quantum mechanical methods CNDO/2, INDO and PCILO, and with those obtained by the classical partitioning of the energy method (PEM). From this comparison it becomes evident a wide agreement between the results of PCILO, EHT and PEM, all these methods allowing accessibility to discrete regions in conformational space.
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