DFT AND CBS STUDY ON CONFORMATIONAL EFFECT IN THE ETHYL ACETATE NEUTRAL HYDROLYSIS
The first-principles calculations have been commonly used to search the possible transition states for reaction kinetics study, which is a challenge to observe experimentally. However, studying the reaction computationally also has its challenges; one is the basis set superposition error (BSSE) that...
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| Format: | Theses |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/46708 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |