Quantum Chemistry Calculation of Substituent Effect on Intermolecular Interaction of Amide Molecules and Intermolecular Interaction of Polypeptide
碩士 === 國立臺灣大學 === 應用力學研究所 === 103 === The first part of this research is studying the N-H...O=C type hydrogen bond by substitution alkyl groups on amide molecules. All the quantum chemistry calculations were performed at the wB97XD/aug-cc-pVDZ using the Gaussian 09 program to calculate the intermole...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
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| Online Access: | http://ndltd.ncl.edu.tw/handle/99897531186244430267 |