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   Weidman, Jared D. ; Estep, Marissa L. ; Schaefer, Henry F. ( July 2018 , The Journal of Physical Chemistry A)
2. Electron-impact excitation of the ( 5s25p ) P1/22→(5s26s ) S1/22 transition in indium: Theory and experiment

   https://doi.org/10.1103/PhysRevA.102.022801  

   Hamilton, K. R. ; Zatsarinny, O. ; Bartschat, K. ; Rabasović, M. S. ; Šević, D. ; Marinković, B. P. ; Dujko, S. ; Atić, J. ; Fursa, D. V. ; Bray, I. ; et al ( August 2020 , Physical Review A)

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3. Electron-impact excitation of the 5$$\varvec{^2\textbf{S}_{1/2} \rightarrow 5^2\textbf{P}_{1/2}}$$ and 5$$\varvec{^2\textbf{P}_{3/2}}$$ transitions in rubidium by 40 eV electrons: theory and experiment

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   Hamilton, K. R. ; Zatsarinny, O. ; Bartschat, K. ; Predojević, B. ; Šević, D. ; Marinković, B. P. ; Brunger, M. J. ( May 2022 , The European Physical Journal D)

   We report on a series of detailed Breit-Pauli and Dirac B-spline R-matrix (DBSR) differential cross section (DCS) calculations for excitation of the$$5\,^2\textrm{S}_{1/2} \rightarrow 5\,^2\textrm{P}_{1/2}$$$5{}^2{\text{S}}_{1/2}\to 5{}^2{\text{P}}_{1/2}$and$$5\,^2\textrm{S}_{1/2}\rightarrow 5\,^2\textrm{P}_{3/2}$$$5{}^2{\text{S}}_{1/2}\to 5{}^2{\text{P}}_{3/2}$states in rubidium by 40 eV incident electrons. The early BP computations shown here were carried out with both 5 states and 12 states, while the DBSR models coupled 150 and 325 states, respectively. We also report corresponding results from a limited set of DCS measurements on the unresolved$$5\,^2\textrm{P}_{1/2,3/2}$$$5{}^2{\text{P}}_{1/2,3/2}$states, with the experimental data being restricted to the scattered electron angular range 2–$$10^\circ $$${10}^{\circ }$. Typically, good agreement is found between our calculated and measured DCS for excitation of the unresolved$$5\,^2\textrm{P}_{1/2,3/2}$$$5{}^2{\text{P}}_{1/2,3/2}$states, with best accord being found between the DBSR predictions and the measured data. The present theoretical and experimental results are also compared with predictions from earlier 40 eV calculations using the nonrelativistic Distorted-Wave Born Approximation and a Relativistic Distorted-Wave model.

    

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4. The β‐Agostic Structure in (C 5 Me 5 ) 2 Sc(CH 2 CH 3 ): Solid‐State NMR Studies of (C 5 Me 5 ) 2 Sc−R (R=Me, Ph, Et)

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   Culver, Damien B. ; Huynh, Winn ; Tafazolian, Hosein ; Ong, Ta‐Chung ; Conley, Matthew P. ( July 2018 , Angewandte Chemie International Edition)

   Multinuclear solid‐state NMR studies of Cp*₂Sc−R (Cp*=pentamethylcyclopentadienyl; R=Me, Ph, Et) and DFT calculations show that the Sc−Et complex contains a β‐CH agostic interaction. The static central transition⁴⁵Sc NMR spectra show that the quadrupolar coupling constants (C_q) follow the trend of Ph≈Me>Et, indicating that the Sc−R bond is different in Cp*₂Sc−Et compared to the methyl and phenyl complexes. Analysis of the chemical shift tensor (CST) shows that the deshielding experienced by Cβ in Sc−CH₂CH₃is related to coupling between the filled σ_C‐Corbital and the vacantorbital.

    

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5. The β‐Agostic Structure in (C 5 Me 5 ) 2 Sc(CH 2 CH 3 ): Solid‐State NMR Studies of (C 5 Me 5 ) 2 Sc−R (R=Me, Ph, Et)

   https://doi.org/10.1002/ange.201805738  

   Culver, Damien B. ; Huynh, Winn ; Tafazolian, Hosein ; Ong, Ta‐Chung ; Conley, Matthew P. ( July 2018 , Angewandte Chemie)

   Multinuclear solid‐state NMR studies of Cp*₂Sc−R (Cp*=pentamethylcyclopentadienyl; R=Me, Ph, Et) and DFT calculations show that the Sc−Et complex contains a β‐CH agostic interaction. The static central transition⁴⁵Sc NMR spectra show that the quadrupolar coupling constants (C_q) follow the trend of Ph≈Me>Et, indicating that the Sc−R bond is different in Cp*₂Sc−Et compared to the methyl and phenyl complexes. Analysis of the chemical shift tensor (CST) shows that the deshielding experienced by Cβ in Sc−CH₂CH₃is related to coupling between the filled σ_C‐Corbital and the vacantorbital.

    

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