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Systematic and extensive conformational search of the gas phase asparagine has been performed for the first time. A total of 972 unique trial structures were generated by allowing for all combinations of internal single-bond rotamers. All the trial structures were optimized at the B3LYP/6-311G* level of the theory and then subjected to further optimization at the B3LYP/6-311++G** level and a total...
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