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9 results in Authors: Arpita Yadav

Organic Chemistry

Working Paper

On the Relative Resonance-Acceptor Abilities of CN, NO, COMe, CHO and NO2 Groups

Veejendra Yadav, Arpita Yadav

Version 1 posted 06 May 2019

405

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Citations

Theoretical and Computational Chemistry

Working Paper

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Abd Al-Aziz A. Abu-Saleh, Ibrahim Awad, Arpita Yadav, Raymond A. Poirier

Version 1 posted 25 June 2020

615

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Organic Chemistry

Working Paper

Activation Energy and NBO Interaction Approaches to the Determination of the Relative Resonance Acceptor Strengths of CN, NO, COMe, CHO and NO2 Groups from the Ring-Opening of 1,2-Benzo-3-Carbomethoxycyclobutenes

Veejendra Yadav, Arpita Yadav

Version 1 posted 07 June 2019

511

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Citations

Organic Chemistry

Working Paper

TS-Torquoselectivity from Global Conformational Profile

Veejendra Yadav, Arpita Yadav, Maddali L N Rao

Version 2 posted 01 March 2021

313

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Theoretical and Computational Chemistry

Working Paper

Accelerating the Discovery of the Beyond Rule of Five Compounds That Have High Affinities Toward SARS-CoV-2 Spike RBD

Abd Al-Aziz Abu-Saleh, Arpita Yadav, Raymond A. Poirier

Version 2 posted 11 May 2021

563

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Physical Chemistry

Working Paper

An NBO-TS predictive approach for torquoselectivity of ring opening in 3-substituted cyclobutenes

Arpita Yadav, Dasari L V K Prasad, Veejendra Yadav

Version 1 posted 29 December 2017

942

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Organic Chemistry

Working Paper

On the Conrotatory Ring Opening of 3-Carbomethoxycyclobutene Vis-À-Vis 3-Carbomethoxy-1,2-Benzocyclobutene and the Predominant Inward Opening of 3-Dimethylaminocarbonyl-1,2-Benzocyclobutene

Veejendra Yadav, Dasari L V K Prasad, Arpita Yadav, Maddali L N Rao

Version 1 posted 18 September 2018

476

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Theoretical and Computational Chemistry

Working Paper

On the Solvent and Temperature Driven Stereoselectivity of the Diels-Alder Cycloaddition Reactions of Furan with Maleic Anhydride and Maleimide

Veejendra Yadav, Dasari L V K Prasad, Arpita Yadav, Kedar Yadav

Version 1 posted 23 December 2019

596

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Organic Chemistry

Working Paper

On the Thermodynamic Control of Ring Opening of 4-Substituted 1,3,3-Tris-Carbethoxycyclobutene and the Role of the C-3 Substituent in Masking the Kinetic Torquoselectivity. An alternate reaction pathway

Veejendra Yadav, Dasari L V K Prasad, Arpita Yadav, Maddali L N Rao

Version 5 posted 03 May 2021

1,107

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9 results in Arpita Yadav in Authors: Arpita Yadav

On the Relative Resonance-Acceptor Abilities of CN, NO, COMe, CHO and NO2 Groups

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Activation Energy and NBO Interaction Approaches to the Determination of the Relative Resonance Acceptor Strengths of CN, NO, COMe, CHO and NO2 Groups from the Ring-Opening of 1,2-Benzo-3-Carbomethoxycyclobutenes

TS-Torquoselectivity from Global Conformational Profile

Accelerating the Discovery of the Beyond Rule of Five Compounds That Have High Affinities Toward SARS-CoV-2 Spike RBD

An NBO-TS predictive approach for torquoselectivity of ring opening in 3-substituted cyclobutenes

On the Conrotatory Ring Opening of 3-Carbomethoxycyclobutene Vis-À-Vis 3-Carbomethoxy-1,2-Benzocyclobutene and the Predominant Inward Opening of 3-Dimethylaminocarbonyl-1,2-Benzocyclobutene

On the Solvent and Temperature Driven Stereoselectivity of the Diels-Alder Cycloaddition Reactions of Furan with Maleic Anhydride and Maleimide

On the Thermodynamic Control of Ring Opening of 4-Substituted 1,3,3-Tris-Carbethoxycyclobutene and the Role of the C-3 Substituent in Masking the Kinetic Torquoselectivity. An alternate reaction pathway

9 results in Authors: Arpita Yadav