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Unveiling the exclusive stereo and site selectivity in [3+2] cycloaddition reactions of a tricyclic strained alkene with nitrile oxides from the molecular electron density theory perspective

Chemistry of heterocyclic compounds (New York, N.Y. 1965), 2023-03, Vol.59 (3), p.145-154

2023

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Unveiling [3 + 2] cycloaddition reactions of pyridinium bis(methoxycarbonyl)methylides and pyridinium dicyanomethylides with cyclooctyne for indolizine synthesis from the molecular electron density theory perspective

Structural chemistry, 2024-04, Vol.35 (2), p.455-469

2024

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Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory

Theoretical chemistry accounts, 2023-12, Vol.142 (12), Article 129

2023

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A molecular electron density theory study to understand intramolecular [3 + 2] cycloaddition reactions of azides and diazoalkanes

Structural chemistry, 2024, Vol.35 (4), p.1215-1227

2024

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Unveiling the intramolecular [3 + 2] cycloaddition reactions of C , N -disubstituted nitrones from the molecular electron density theory perspective

New journal of chemistry, 2022-04, Vol.46 (16), p.7721-7733

2022

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Unveiling the intramolecular [3 + 2] cycloaddition reactions of ,-disubstituted nitrones from the molecular electron density theory perspective

New journal of chemistry, 2022-04, Vol.46 (16), p.7721-7733

2022

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Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective

Journal of physical organic chemistry, 2024-01, Vol.37 (1), p.n/a

2024

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Insights on adsorption properties of a DNA base, guanine on nano metal cages (Ag24/Au24/Cu24): DFT, SERS, NCI and solvent effects

Journal of molecular structure, 2023-08, Vol.1285, p.135541, Article 135541

2023

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Sumanene as a delivery carrier for methimazole drug: DFT, AIM, SERS and solvent effects

Computational and theoretical chemistry, 2022-09, Vol.1215, p.113811, Article 113811

2022

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Potential of Desert Medicinal Plants for Combating Resistant Biofilms in Urinary Tract Infections

Applied biochemistry and biotechnology, 2023-09, Vol.195 (9), p.5568-5582

2023

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DFT analysis on the adsorption of melamine in Ga 12 -N 12 /P 12 nanocages: solvent effects, SERS analysis, reactivity properties

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (18), p.8844-8855

2023

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DFT analysis on the adsorption of melamine in Ga12-N12/P12 nanocages: solvent effects, SERS analysis, reactivity properties

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (18), p.8844-8855

2023

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Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis

Journal of molecular liquids, 2022-12, Vol.367, p.120373, Article 120373

2022

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Investigation of the interaction of thymine drugs with Be12O12 and Ca12O12 nanocages: A quantum chemical study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-03, Vol.308, p.123728, Article 123728

2024

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Adsorption of toremifene on carboxylic acid functionalized N/B-doped coronene: DFT, AIM, solvation, docking and MD analyses

Journal of molecular liquids, 2024-02, Vol.395, p.123931, Article 123931

2024

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Understanding Trimipraminium Maleate (TPM) through Spectroscopic, Hirshfeld surface and reactivity analysis: Experimental, DFT and MD studies in different solvents at different temperatures

Journal of the Indian Chemical Society, 2024-10, Vol.101 (10), p.101235, Article 101235

2024

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Proton gravitational form factors in a light-front quark-diquark model

SciPost physics proceedings, 2022-07 (8), p.113, Article 113

2022

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Psorinum 6× triggers apoptosis signals in human lung cancer cells

Journal of integrative medicine, 2016-03, Vol.14 (2), p.143-153

2016

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Unveiling substituent effects in [3+2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective

Scientiae Radices, 2023-03, Vol.2 (1), p.75-92

2023

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A Smart Irrigation System

2018 IEEE Applied Signal Processing Conference (ASPCON), 2018, p.110-113

2018

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An investigation on the fluorescence quenching mechanisms of 2-(8-chloro-12-oxo-12H-indolo[2,1-b]quinazolin-6-ylidene)-malononitrile by amines in acetonitrile-1,4-dioxane solvent mixtures and an evaluation of its antibacterial property

SSRN Electronic Journal

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Gravitational form factors and mechanical properties of proton in a light-front quark-diquark model

Physical review. D, 2020-12, Vol.102 (11), Article 113011

2020

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Basis light-front quantization approach to photon

Physics letters. B, 2022-04, Vol.827 (C), p.137005, Article 137005

2022

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Effect of ABS on non-isothermal crystallization kinetics of polyamide 6

Journal of thermal analysis and calorimetry, 2021-12, Vol.146 (6), p.2489-2501

2021

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Double parton distributions for a positroniumlike bound state using light-front wave functions

Physical review. D, 2019-11, Vol.100 (9), p.1, Article 094002

2019

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Unveiling the exclusive stereo and site selectivity in [3+2] cycloaddition reactions of a tricyclic strained alkene with nitrile oxides from the molecular electron density theory perspective

Unveiling [3 + 2] cycloaddition reactions of pyridinium bis(methoxycarbonyl)methylides and pyridinium dicyanomethylides with cyclooctyne for indolizine synthesis from the molecular electron density theory perspective

Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory

A molecular electron density theory study to understand intramolecular [3 + 2] cycloaddition reactions of azides and diazoalkanes

Unveiling the intramolecular [3 + 2] cycloaddition reactions of C , N -disubstituted nitrones from the molecular electron density theory perspective

Unveiling the intramolecular [3 + 2] cycloaddition reactions of ,-disubstituted nitrones from the molecular electron density theory perspective

Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective

Insights on adsorption properties of a DNA base, guanine on nano metal cages (Ag24/Au24/Cu24): DFT, SERS, NCI and solvent effects

Sumanene as a delivery carrier for methimazole drug: DFT, AIM, SERS and solvent effects

Potential of Desert Medicinal Plants for Combating Resistant Biofilms in Urinary Tract Infections

DFT analysis on the adsorption of melamine in Ga 12 -N 12 /P 12 nanocages: solvent effects, SERS analysis, reactivity properties

DFT analysis on the adsorption of melamine in Ga12-N12/P12 nanocages: solvent effects, SERS analysis, reactivity properties

Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis

Investigation of the interaction of thymine drugs with Be12O12 and Ca12O12 nanocages: A quantum chemical study

Adsorption of toremifene on carboxylic acid functionalized N/B-doped coronene: DFT, AIM, solvation, docking and MD analyses

Understanding Trimipraminium Maleate (TPM) through Spectroscopic, Hirshfeld surface and reactivity analysis: Experimental, DFT and MD studies in different solvents at different temperatures

Proton gravitational form factors in a light-front quark-diquark model

Psorinum 6× triggers apoptosis signals in human lung cancer cells

Unveiling substituent effects in [3+2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective

A Smart Irrigation System

An investigation on the fluorescence quenching mechanisms of 2-(8-chloro-12-oxo-12H-indolo[2,1-b]quinazolin-6-ylidene)-malononitrile by amines in acetonitrile-1,4-dioxane solvent mixtures and an evaluation of its antibacterial property

Gravitational form factors and mechanical properties of proton in a light-front quark-diquark model

Basis light-front quantization approach to photon

Effect of ABS on non-isothermal crystallization kinetics of polyamide 6

Double parton distributions for a positroniumlike bound state using light-front wave functions

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