Fully Anharmonic Resonance Raman Spectrum of Diatomic Molecules Through Numerical Solution of the Vibrational Schrodinger Equation
Referências
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2. F. Santoro, C. Cappelli and V. Barone, J. Chem. Theory Comput., 7, 1824, (2011). F. Egidi, J. Bloino, C. Cappelli and V. Barone, J. Chem. Theory Comput., 10, 346, (2014). F. Santoro, R. Improta, A. Lami, J. Bloino, and V. Barone, J. Chem Phys., 126, 084509, (2007).
3. H. Kono, Z. Z. Ho and S. H. Lin, J. Chem. Phys. 80, 1760, (1984).
4. Dalton, a molecular electronic structure program, Release Dalton2015. (2015), see http://daltonprogram.org.
5. O. Beruski and L. N. Vidal, J. Comput. Chem., 35, 290, (2014). L. N. Vidal and P.A. M. Vazquez, Quím. Nova, 35, 2076 (2003).
6. R. Custodio, M. R. Custodio, E. J. Creatto, Quim. Nova, 35, 2076 (2014).
7. K. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, 2nd ed., Van Nostrand Reinhold: New York, (1979).
Publicado
2015-07-01
Como Citar
Costa, G. J., Custodio, R., Vazquez, P. A. M., & Vidal, L. N. (2015). Fully Anharmonic Resonance Raman Spectrum of Diatomic Molecules Through Numerical Solution of the Vibrational Schrodinger Equation. Revista Processos Químicos, 9(18), 111-113. https://doi.org/10.19142/rpq.v9i18.270
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