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Nav Nidhi Rajput

Lawrence Berkeley National Laboratory

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An automated framework for high-throughput predictions ofNMR chemical shifts within liquid solutions

2021
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Role of a Multivalent Ion-Solvent Interaction on Restricted Mg2+ Diffusion in Dimethoxyethane Electrolytes.

2021 Journal of Physical Chemistry B
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Dipotassium terephthalate as promising potassium storing anode with DFT calculations

2020 Materials Today Energy
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Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-dioxolane and 1,2-dimethoxyethane

2019 Chemistry of Materials
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25Mg NMR and computational modeling studies of the solvation structures and molecular dynamics in magnesium based liquid electrolytes

2018 Nano Energy
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Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review

2018 Topics in Current Chemistry
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Computational Design of New Magnesium Electrolytes with Improved Properties

2017 Journal of Physical Chemistry C
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The Interplay Between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: the Case of LiPF6 and LiAsF6 in Dimethyl Carbonate

2017 Journal of Physical Chemistry C
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Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries

2017 Chemistry of Materials
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pymatgen: v4.2.2

2016
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