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Creators/Authors contains: "Srivastava, Deepansh J."

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  1. ; ; ; ; ; (, Physical Chemistry Chemical Physics)
    A modified shifted-echo PIETA pulse sequence is developed to acquire natural abundance29Si 2DJ-resolved spectra in crystalline silicates. 
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    Free, publicly-accessible full text available December 18, 2025
  2. ; (, The Journal of Chemical Physics)
    An approach is presented for simulating multipulse nuclear magnetic resonance (NMR) spectra of polycrystalline solids directly in the frequency domain. The approach integrates the symmetry pathway concept for multipulse NMR with efficient algorithms for calculating spinning sideband amplitudes and performing interpolated finite-element numerical integration over all crystallite orientations in a polycrystalline sample. The numerical efficiency is achieved through a set of assumptions used to approximate the evolution of a sparse density matrix through a pulse sequence as a set of individual transition pathway signals. The utility of this approach for simulating the spectra of complex materials, such as glasses and other structurally disordered materials, is demonstrated. 
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  3. ; ; (, The Journal of Chemical Physics)
    A new algorithm has been developed to simulate two-dimensional (2D) spectra with correlated anisotropic frequencies faster and more accurately than previous methods. The technique uses finite-element numerical integration on the sphere and an interpolation scheme based on the Alderman–Solum–Grant algorithm. This method is particularly useful for numerical calculations of joint probability distribution functions involving quantities with a parametric orientation dependence. The technique’s efficiency also allows for practical least-squares fitting of experimental 2D solid-state nuclear magnetic resonance (NMR) datasets. The simulation method is illustrated for select 2D NMR methods, and a least-squares analysis is demonstrated in the extraction of paramagnetic shift and quadrupolar coupling tensors and their relative orientation from the experimental shifting-d echo 2H NMR spectrum of a NiCl2 · 2D2O salt. 
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  4. ; ; ; ; (, PLOS ONE)
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  5. ; (, The Journal of Chemical Physics)