Quantum Chemistry Calculation of Substituent Effect、Stack Effect and Hydration Effect of Double Proton Transfer on Amide and Acid Molecules
碩士 === 國立臺灣大學 === 應用力學研究所 === 104 === We studied the N-H...O=C and O-H...O=C type hydrogen bonds by substituting alkyl groups on amide and acid molecules. All the quantum chemistry calculations were performed at Gaussian 09 software to optimize individual keto or enol structures and search the trans...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2016
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| Online Access: | http://ndltd.ncl.edu.tw/handle/nqn627 |