Please use this identifier to cite or link to this item: http://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: http://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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