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A Unified Approach to CO2–Amine Reaction Mechanisms

ACS omega, 2020-10, Vol.5 (40), p.26125-26133

2020

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Tentative Characterization of Polyphenolic Compounds in the Male Flowers of Phoenix dactylifera by Liquid Chromatography Coupled with Mass Spectrometry and DFT

International journal of molecular sciences, 2017-03, Vol.18 (3), p.512-512

2017

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Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum‐chemical descriptors

Journal of computational chemistry, 2021-12, Vol.42 (32), p.2306-2320

2021

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Uptake of BF Dye from the Aqueous Phase by CaO-g-C3N4 Nanosorbent: Construction, Descriptions, and Recyclability

Inorganics, 2023-01, Vol.11 (1), p.44

2023

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Insights into the bonding between tributylphosphine chalcogenides and zinc(II)

Theoretical chemistry accounts, 2018-05, Vol.137 (5), p.1-9, Article 68

2018

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Synthesis and characterization of new thiazolidinones containing coumarin moieties and their antibacterial and antioxidant activities

Molecules (Basel, Switzerland), 2012-08, Vol.17 (8), p.9321-9334

2012

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CO2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-09, Vol.127 (37), p.7756-7763

2023

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In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions

Nanomaterials (Basel, Switzerland), 2022-07, Vol.12 (15), p.2517

2022

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A complex adaptive agent modeling to predict the stock market prices

Expert systems with applications, 2023-07, Vol.222, p.119783, Article 119783

2023

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Application of mesoporous CaO@g-C3N4 nanosorbent materials for high-efficiency removal of Pb (II) from aqueous solution

Journal of molecular liquids, 2023-06, Vol.379, p.121594, Article 121594

2023

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Electrochemical synthesis of hydroxy-thioxo-imidazole carboxylates: an experimental and theoretical study

Journal of sulfur chemistry, 2020-03, Vol.41 (2), p.117-129

2020

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Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms

Applied surface science, 2022-02, Vol.576, p.151780, Article 151780

2022

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Carbon dioxide adsorption and activation on ionic liquid decorated Au(111) surface: A DFT study

Chemosphere (Oxford), 2022-01, Vol.286, p.131612-131612, Article 131612

2022

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Structural, QSAR, machine learning and molecular docking studies of 5-thiophen-2-yl pyrazole derivatives as potent and selective cannabinoid-1 receptor antagonists

New journal of chemistry, 2021-10, Vol.45 (38), p.17796-1787

2021

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Fingerprinting of two an acylated polyoxypregnane glycosides from Caralluma quadrangula (Forssk.) N.E.Br. using UPLC-ESI-Q-TOF and computational study

Natural product research, 2023, Vol.37 (1), p.136-140

2023

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Structural and energetic properties of tautomeric forms of phosphonyl thioamides

Theoretical chemistry accounts, 2018-04, Vol.137 (4), p.1-9, Article 55

2018

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Comprehensive polyoxypregnane glycosides report in Caralluma quadrangula using UPLC–ESI–Q–TOF and their antioxidant effects in human plasma

Biomedicine & pharmacotherapy, 2022-06, Vol.150, p.112954-112954, Article 112954

2022

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LC–ESI-MS/MS profile of phenolic and glucosinolate compounds in samh flour (Mesembryanthemum forsskalei Hochst. ex Boiss) and the inhibition of oxidative stress by these compounds in human plasma

Food research international, 2016-07, Vol.85, p.282-290

2016

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Evaluation of the Antiparasitic and Antifungal Activities of Synthetic Piperlongumine‐Type Cinnamide Derivatives: Booster Effect by Halogen Substituents

ChemMedChem, 2023-06, Vol.18 (12), p.e202300132-n/a

2023

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Flavone C-glycosides from Vaccaria pyramidata: Structure elucidation by spectroscopy and theoretical calculations

Phytochemistry letters, 2019-02, Vol.29, p.119-124

2019

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CO 2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-09, Vol.127 (37), p.7756-7763

2023

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A Computational Approach to Nontraditional Intrinsic Luminescence: Vibrationally Resolved Absorption and Fluorescence Spectra of DABCO

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (7), p.1094-1102

2022

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QSAR investigations and structure-based virtual screening on a series of nitrobenzoxadiazole derivatives targeting human glutathione-S-transferases

Journal of molecular structure, 2020-07, Vol.1211, p.128015, Article 128015

2020

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S2O2 q + (q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-03, Vol.125 (9), p.1958-1971

2021

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S 2 O 2 q + ( q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-03, Vol.125 (9), p.1958-1971

2021

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A Unified Approach to CO2–Amine Reaction Mechanisms

Tentative Characterization of Polyphenolic Compounds in the Male Flowers of Phoenix dactylifera by Liquid Chromatography Coupled with Mass Spectrometry and DFT

Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum‐chemical descriptors

Uptake of BF Dye from the Aqueous Phase by CaO-g-C3N4 Nanosorbent: Construction, Descriptions, and Recyclability

Insights into the bonding between tributylphosphine chalcogenides and zinc(II)

Synthesis and characterization of new thiazolidinones containing coumarin moieties and their antibacterial and antioxidant activities

CO2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach

In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions

A complex adaptive agent modeling to predict the stock market prices

Application of mesoporous CaO@g-C3N4 nanosorbent materials for high-efficiency removal of Pb (II) from aqueous solution

Electrochemical synthesis of hydroxy-thioxo-imidazole carboxylates: an experimental and theoretical study

Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms

Carbon dioxide adsorption and activation on ionic liquid decorated Au(111) surface: A DFT study

Structural, QSAR, machine learning and molecular docking studies of 5-thiophen-2-yl pyrazole derivatives as potent and selective cannabinoid-1 receptor antagonists

Fingerprinting of two an acylated polyoxypregnane glycosides from Caralluma quadrangula (Forssk.) N.E.Br. using UPLC-ESI-Q-TOF and computational study

Structural and energetic properties of tautomeric forms of phosphonyl thioamides

Comprehensive polyoxypregnane glycosides report in Caralluma quadrangula using UPLC–ESI–Q–TOF and their antioxidant effects in human plasma

LC–ESI-MS/MS profile of phenolic and glucosinolate compounds in samh flour (Mesembryanthemum forsskalei Hochst. ex Boiss) and the inhibition of oxidative stress by these compounds in human plasma

Evaluation of the Antiparasitic and Antifungal Activities of Synthetic Piperlongumine‐Type Cinnamide Derivatives: Booster Effect by Halogen Substituents

Flavone C-glycosides from Vaccaria pyramidata: Structure elucidation by spectroscopy and theoretical calculations

CO 2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach

A Computational Approach to Nontraditional Intrinsic Luminescence: Vibrationally Resolved Absorption and Fluorescence Spectra of DABCO

QSAR investigations and structure-based virtual screening on a series of nitrobenzoxadiazole derivatives targeting human glutathione-S-transferases

S2O2 q + (q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

S 2 O 2 q + ( q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

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