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Theoretical and Computational Chemistry

Working Paper

Non-reductive Homolytic Scission of Endoperoxide Bond for Activation of Artemisinin: The Bi-radical Perspectives

Shikha Sharma, Md. Ehesan Ali

Version 1 posted 24 February 2021

254

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Physical Chemistry

Working Paper

Influence of the Radicaloid Character of Polyaromatic Hydrocarbon Couplers on Magnetic Exchange Interactions

Prabhleen Kaur, Md. Ehesan Ali

Version 1 posted 05 May 2021

275

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Theoretical and Computational Chemistry

Working Paper

Tuning the Magnetic Properties of Diamagnetic Di-Blatter’s Zwitterion to Antiferro- and Ferromagnetic Diradical

Rishu Khurana, Ashima Bajaj, Md. Ehesan Ali

Version 1 posted 16 April 2021

471

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Inorganic Chemistry

Working Paper

First-Principles Investigations of Magnetic Anisotropy and Spin-Crossover Behavior of Fe(III)-TBP Complexes

Rishu Khurana, Sameer Gupta, Md. Ehesan Ali

Version 1 posted 20 October 2020

418

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Theoretical and Computational Chemistry

Working Paper

How do the Mutations in PfK13 Protein Promote Anti-malarial Drug Resistance?

Shikha Sharma, Md. Ehesan Ali

Version 1 posted 24 February 2022

288

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Organic Chemistry

Working Paper

A Study of [2+2] Cycloaddition–Retroelectrocyclization in Water: Observation of Substrate-driven Transient Nanoreactor Induced New Reactivity

Neethu K. M, Kritika Nag, Arif Hassan Dar, Ashima Bajaj, S. Arya Gopal, Vijayendran Gowri, Mithilesh Nagpure, Shaifali Sartaliya, Raina Sharma, Arun Kumar Solanki, Md. Ehesan Ali, Azhagumuthu Muthukrishnan, Govindasamy Jayamurugan

Version 2 posted 08 March 2023

400

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Organic Chemistry

Working Paper

A Subtle Change in Substituent Enabled Multi-Ways Fluoride Signals Including Paper-Strip Colorimetric Detection Using Urea Receptor Functionalized 1,1,4,4-Tetracyanobuta-1,3-Diene-Based Push-Pull Chromophore

Vijayendran Gowri, Sachin Jalwal, Arif Hassan Dar, Arya Gopal, Azhagumuthu Muthukrishnan, Ashima Bajaj, Md. Ehesan Ali, Govindasamy Jayamurugan

Version 1 posted 28 July 2020

406

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Theoretical and Computational Chemistry

Working Paper

Understanding the Role of R266K Mutation in Cystathionine β-Synthase (CBS) Enzyme: An in Silico Study

Aashish Bhatt, Md. Ehesan Ali

Version 2 posted 03 June 2021

468

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Theoretical and Computational Chemistry

Working Paper

Quantum Interference and Spin Filtering Effects in Photo-responsive Endoperoxide Based Single Molecular Device

Ashima Bajaj, Rishu Khurana, Md. Ehesan Ali

Version 1 posted 03 May 2021

279

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Theoretical and Computational Chemistry

Working Paper

Auxiliary Atomic Relay Center Facilitates Enhanced Magnetic Couplings in Blatter’s Radical

Ashima Bajaj, Rishu Khurana, Md. Ehesan Ali

Version 1 posted 04 January 2021

283

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24 results in Md. Ehesan Ali in Authors: Md. Ehesan Ali

Non-reductive Homolytic Scission of Endoperoxide Bond for Activation of Artemisinin: The Bi-radical Perspectives

Influence of the Radicaloid Character of Polyaromatic Hydrocarbon Couplers on Magnetic Exchange Interactions

Tuning the Magnetic Properties of Diamagnetic Di-Blatter’s Zwitterion to Antiferro- and Ferromagnetic Diradical

First-Principles Investigations of Magnetic Anisotropy and Spin-Crossover Behavior of Fe(III)-TBP Complexes

How do the Mutations in PfK13 Protein Promote Anti-malarial Drug Resistance?

A Study of [2+2] Cycloaddition–Retroelectrocyclization in Water: Observation of Substrate-driven Transient Nanoreactor Induced New Reactivity

A Subtle Change in Substituent Enabled Multi-Ways Fluoride Signals Including Paper-Strip Colorimetric Detection Using Urea Receptor Functionalized 1,1,4,4-Tetracyanobuta-1,3-Diene-Based Push-Pull Chromophore

Understanding the Role of R266K Mutation in Cystathionine β-Synthase (CBS) Enzyme: An in Silico Study

Quantum Interference and Spin Filtering Effects in Photo-responsive Endoperoxide Based Single Molecular Device

Auxiliary Atomic Relay Center Facilitates Enhanced Magnetic Couplings in Blatter’s Radical

24 results in Authors: Md. Ehesan Ali