An ab-initio study of multiple conformers of glycine
نویسندگان
چکیده
منابع مشابه
Quantum free energies of the conformers of glycine on an ab initio potential energy surfacey
The torsional path integral Monte Carlo (TPIMC) technique is used to study the five lowest-energy conformers of glycine. The theoretical method provides an anharmonic and quantum-mechanical description of conformational free energy and is used for the first time with an ab initio potential energy surface. The 3-dimensional torsional potential energy surface of glycine was obtained at the MP2/6-...
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ژورنال
عنوان ژورنال: Proceedings of the International Astronomical Union
سال: 2008
ISSN: 1743-9213,1743-9221
DOI: 10.1017/s174392130802111x