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6 results in Authors: Bhaskar Rana

Physical Chemistry

Role of Hemibonding in the Structure and Ultraviolet Spectroscopy of the Aqueous Hydroxyl Radical

Bhaskar Rana, John Herbert

Version 1 posted 06 October 2020

420

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Theoretical and Computational Chemistry

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

Bhaskar Rana, Edward G. Hohenstein, Todd J. Martínez

Version 1 posted 05 October 2023

400

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Theoretical and Computational Chemistry

Hidden Hemibonding in the Aqueous Hydroxl Radical

Bhaskar Rana, John Herbert

Version 1 posted 15 July 2021

227

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Theoretical and Computational Chemistry

Correcting pi-delocalization errors in conformational energies using density-corrected DFT, with application to crystal polymorphs

Bhaskar Rana, Gregory Beran, John Herbert

Version 1 posted 27 September 2022

386

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Theoretical and Computational Chemistry

Detection and correction of delocalization errors for electron- and hole-polarons using density-corrected DFT

Bhaskar Rana, Marc Coons, John Herbert

Version 1 posted 22 April 2022

467

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Materials Chemistry

Silver-Based Supramolecular Hydrogel for the Development of Smartphone-Enabled Alkaline Phosphatase Sensor

Smarak Islam Chaudhury, Sourav Das, Preeti Bhatt, Bhaskar Sen, Subinoy Rana

Version 1 posted 16 August 2023

140

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