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

• Main Authors: Kritsana P. Sagarik, Vilaval Pongpituk, Supaporn Chaiyapongs, Phittaya Sisot
• Other Authors: Mahidol University
• Format: Article
• Published: 2018
• Subjects: Chemistry; Physics and Astronomy
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/22019

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...