Solvent dynamics derived from optical Kerr effect, dielectric dispersion, and time-resolved stokes shift measurements: An empirical comparison

Journal of Molecular Liquids

Volumn 77, Issue 1-3, 1998, Pages 1-36

  Castner Jr , E W ^a   Maroncelli, Mark ^b  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001779886     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0167-7322(98)00066-x     Document Type: Article

References (153)

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148. M (t).
149. ΔE (t) from the fit. Rather, even at shorter times the two functions simply do not fit any reasonable power-law relation.
150. M (t) functions. This poorer agreement is probably due at least in part to the effect of the inaccuracies incurred by our method of extending ε(ω) to higher than measured frequencies.
151. The moments of inertia used here were determined for molecular geometries calculated at the RHF level using the AMI semi-empirical Hamiltonian. These calculations were performed using the AMPAC 5.0 program package [Semichem Inc., Shawnee KS 66216, 1994]. In cases where the molecular symmetry was lower than that of a symmetric top, an approximate symmetry axis was defined by examining the polarizability tensor computed using the "KPOLAR" algorithm within AMPAC. The diagonalized polarizability matrix was written as the sum of a symmetric top polarizability matrix and a correction matrix and the effective polarizability symmetry axis defined as the axis which minimized the magnitude of the correction required.
152. See, for example the recent papers: S. A. Passino, Y. Nagasawa, T. Joo, G. R. Fleming, J. Phys. Chem. A 101, 725-31 (1997); W. P. de Boeij, M. S. Pschenichnikov, D. A. Wiersma, J. Phys. Chem. 100, 11806-23 (1996).
153. See, for example the recent papers: S. A. Passino, Y. Nagasawa, T. Joo, G. R. Fleming, J. Phys. Chem. A 101, 725-31 (1997); W. P. de Boeij, M. S. Pschenichnikov, D. A. Wiersma, J. Phys. Chem. 100, 11806-23 (1996).