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DFT Study of Proton Transfer in Methyl Urocanate and Butyl Urocanate
Authors:Janchai Yana  Suwabun Chirachanchai  Chatchai Jarumaneeroj  Vannajan Sanghiran Lee  Kanchanok Kodchakorn  Kohji Tashiro  Piyarat Nimmanpipug
Affiliation:1. Department of Chemistry, Faculty of Science and Technology, Chiang Mai Rajabhat University, Chiang Mai, 50300 Thailand;2. The Petroleum and Petrochemical College, Chulalongkorn University, Bangkok, 10330 Thailand;3. Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur, 50603 Malaysia;4. Computational Simulation Modeling Laboratory (CSML), Department of Chemistry and Center of Excellence for Innovation in Chemistry and Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 Thailand;5. Department of Future Industry-Oriented Basic Science and Materials, Toyota Technological Institute, Nagoya, 468-8511 Japan
Abstract:
Keywords:alkyl urocanate  energy barrier  proton transfer
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