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Physical Chemistry

Working Paper

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

Bhaskar Rana, John Herbert

Version 1 posted 06 October 2020

448

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Theoretical and Computational Chemistry

Working Paper

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

420

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Theoretical and Computational Chemistry

Working Paper

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

444

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Catalysis

Working Paper

Nuclease-resistant photo-responsive synthetic “double-stranded DNAzyme”

Alisha Kamra, Rohit Kapila, Bhaskar Sen, Subinoy Rana

Version 1 posted 18 September 2024

139

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Theoretical and Computational Chemistry

Working Paper

Hidden Hemibonding in the Aqueous Hydroxl Radical

Bhaskar Rana, John Herbert

Version 1 posted 15 July 2021

266

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Theoretical and Computational Chemistry

Working Paper

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

507

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Materials Chemistry

Working Paper

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

229

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7 results in Bhaskar Rana in Authors: Bhaskar Rana

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

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

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

Nuclease-resistant photo-responsive synthetic “double-stranded DNAzyme”

Hidden Hemibonding in the Aqueous Hydroxl Radical

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

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

7 results in Authors: Bhaskar Rana