Test-particle model potentials for hydrogen-bonded complexes: Complexes formed from HCN, HF, H<inf>2</inf>O, NH<inf>3</inf>, HCONH<inf>2</inf>, HCONHCH<inf>3</inf>, guanine and cytosine
An attempt has been made in this work to compute intermolecular potentials for molecular clusters possessing hydrogen bonds, using the test-particle model (T-model). The T-model potentials for small molecules such as HCN, HF, H2O and NH3are constructed and tested in the geometry optimization of dime...
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| Main Authors: | , , , |
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| 格式: | Article |
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2018
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| 在線閱讀: | https://repository.li.mahidol.ac.th/handle/123456789/22019 |
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| 機構: | Mahidol University |