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https://hdl.handle.net/10316/5247
Title: | Quantum Monte Carlo study of vibrational states of silanone | Authors: | Acioli, Paulo H. Costa, L. S. Prudente, Frederico V. |
Issue Date: | 2000 | Citation: | Chemical Physics Letters. 321:1-2 (2000) 121-125 | Abstract: | We report correlation function quantum Monte Carlo (CFQMC) calculations of the vibrational levels on the silanone potential energy surface developed by Koput and co-workers. We computed the vibrational modes up to 3500 cm-1 and up to the fifth excited vibrational mode. Our results are in agreement with those reported by Koput et al. These results are important to future theoretical and experimental investigation of the H2SiO molecule, as spectroscopic data in this system are scarce. | URI: | https://hdl.handle.net/10316/5247 | DOI: | 10.1016/S0009-2614(00)00334-1 | Rights: | openAccess |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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file3a0cacb8ee964f8e945d63cfb21007af.pdf | 76.54 kB | Adobe PDF | View/Open |
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