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DFT Study of Si/Al Ratio and Confinement Effects on the Energetics and Vibrational Properties of some Aza-Aromatic Molecules Adsorbed on H-ZSM-5 Zeolite
Computation, 2020-09, Vol.8 (3), p.81
2020
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Vibrational Analysis of Pyridine Adsorption on the Brønsted Acid Sites of Zeolites Based on Density Functional Cluster Calculations
Journal of physical chemistry. C, 2008-12, Vol.112 (48), p.19045-19054
2008
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Theoretical Study of the Aluminum Distribution Effects on the Double Proton Transfer Mechanisms upon Adsorption of 4,4′-Bipyridine on H-ZSM-5
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (4), p.1261-1271
2012
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Theoretical Study of Pyridine and 4,4‘-Bipyridine Adsorption on the Lewis Acid Sites of Alumina Surfaces Based on Ab Initio and Density Functional Cluster Calculations
The journal of physical chemistry. B, 2005-07, Vol.109 (28), p.13716-13728
2005
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Theoretical Study of 4,4′-Bipyridine Adsorption on the Brønsted Acid Sites of H-ZSM-5 Zeolite
Journal of physical chemistry. C, 2009-11, Vol.113 (47), p.20388-20395
2009
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Theoretical Study of the Aluminum Distribution Effects on the Double Proton Transfer Mechanisms upon Adsorption of 4,4′-Bipyridine on H-ZSM-5
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-02, Vol.116 (4), p.1261-1271
2012
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Vibrational analysis of some transient species implicated in the photoreduction of 4,4′-bipyridine based onab initio and density functional calculations
Journal of Raman spectroscopy, 1998-06, Vol.29 (6), p.511-536
1998
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Vibrational analysis of some transient species implicated in the photoreduction of 4,4′-bipyridine based on ab initio and density functional calculations
Journal of Raman spectroscopy, 1998-06, Vol.29 (6), p.511-536
1998
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Ab - Initio Calculations on Arginine−Disulfide Complexes Modeling the One-Electron Reduction of Lysozyme. Comparison to an Experimental Reinvestigation
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-10, Vol.101 (42), p.7809-7817
1997
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