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Theoretical and Computational Chemistry

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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

313

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1

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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

509

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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

315

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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

510

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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

534

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Theoretical and Computational Chemistry

Working Paper

First Principle Investigations of Long-range Magnetic Exchange Interactions via Polyacene Coupler

Prabhleen Kaur, Md. Ehesan Ali

Version 2 posted 05 January 2021

681

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Theoretical and Computational Chemistry

Working Paper

The Anomalous Effect of Quantum Interference in Organic Spin Filters

Ashima Bajaj, Prabhleen Kaur, Aakanksha Sud, Marco Berritta, Md. Ehesan Ali

Version 2 posted 08 September 2020

1,052

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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

306

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Physical Chemistry

Working Paper

Quantum Spin Transport through Blatter’s Di- and Tri-Radicals

Ashima Bajaj, Shahjad Ali, Rishu Khurana, Md. Ehesan Ali

Version 1 posted 18 December 2024

59

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Theoretical and Computational Chemistry

Working Paper

How Plausible Is Getting Ferromagnetic Interactions by Coupling Blatter’s Radical via Its Fused Benzene Ring?

Rishu Khurana, Ashima Bajaj, Md. Ehesan Ali

Version 1 posted 23 June 2020

391

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

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

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

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

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

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

First Principle Investigations of Long-range Magnetic Exchange Interactions via Polyacene Coupler

The Anomalous Effect of Quantum Interference in Organic Spin Filters

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

Quantum Spin Transport through Blatter’s Di- and Tri-Radicals

How Plausible Is Getting Ferromagnetic Interactions by Coupling Blatter’s Radical via Its Fused Benzene Ring?

29 results in Authors: Md. Ehesan Ali