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A detailed computational investigation on the structural and spectroscopic properties of propolisbenzofuran B

Heliyon, 2019-10, Vol.5 (10), p.e02518-e02518, Article e02518

Rouhani, Morteza

2019

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Green protocol for synthesis of MgFe2O4 nanoparticles and study of their activity as an efficient catalyst for the synthesis of chromene and pyran derivatives under ultrasound irradiation

Journal of the Iranian Chemical Society, 2020-02, Vol.17 (2), p.469-481

2020

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DFT and NBO computational calculations support Schleyer’s hyperconjugative enhancement of aromaticity concept

Structural chemistry, 2023-12, Vol.34 (6), p.2335-2346

2023

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Investigation of structural, electronic, and antioxidant properties of calycopetrin and xanthomicrol as two polymethoxylated flavones using DFT calculations

Structural chemistry, 2022-08, Vol.33 (4), p.1241-1250

2022

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Palladium@silica-coated magnetic nanoparticles as efficient and recyclable catalysts for ligand-free Suzuki–Miyaura coupling reaction under mild conditions

Research on chemical intermediates, 2022-09, Vol.48 (9), p.3685-3699

2022

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DFT study on adsorbing and detecting possibility of cyanogen chloride by pristine, B, Al, Ga, Si and Ge doped graphene

Journal of molecular structure, 2019-04, Vol.1181, p.518-535

Rouhani, Morteza

2019

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Modeling and optimization of ultrasound-assisted green extraction and rapid HPTLC analysis of stevioside from Stevia Rebaudiana

Industrial crops and products, 2019-06, Vol.132, p.226-235

Rouhani, Morteza

2019

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Evaluation of structural properties and antioxidant capacity of Proxison: A DFT investigation

Computational and theoretical chemistry, 2021-01, Vol.1195, p.113096, Article 113096

Rouhani, Morteza

2021

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Fluoro-functionalized graphene as a promising nanosensor in detection of fish spoilage: A theoretical study

Chemical physics letters, 2019-03, Vol.719, p.91-102

Rouhani, Morteza

2019

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Density functional theory study towards capability of Ga-doped boron nitride nanosheet as a nanocarrier for 3-allyl-2 selenohydantoin anticancer drug delivery

Physica. E, Low-dimensional systems & nanostructures, 2021-02, Vol.126, p.114437, Article 114437

Rouhani, Morteza

2021

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Computational evaluation of B(OH)-doped graphene efficiency for detecting of Methyl isocyanate (MIC)

Inorganic chemistry communications, 2021-05, Vol.127, p.108552, Article 108552

Rouhani, Morteza

2021

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Full structural analysis of steviol: A DFT study

Journal of molecular structure, 2018-12, Vol.1173, p.679-689

Rouhani, Morteza

2018

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Molecular Investigations of the Newly Synthesized Azomethines as Antioxidants: Theoretical and Experimental Studies

Current molecular medicine, 2019-01, Vol.19 (6), p.419-433

2019

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Asymmetric cross-aldol reaction of isatin and ketones catalyzed by crude earthworm extract as efficient biocatalyst

Green chemistry letters and reviews, 2020-07, Vol.13 (3), p.258-264

2020

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A deeper computational look at Mumm rearrangement: Evaluation of substituent, solvent, and temperature effects

Journal of physical organic chemistry, 2020-11, Vol.33 (11), p.n/a

Rouhani, Morteza

2020

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A stage-structured population model for activity-dependent dendritic spines

Journal of biological dynamics, 2021-05, Vol.15 (S1), p.S62-S80

2021

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Preparation of Fully Substituted 1,3,4-Oxadiazole Derivatives from N-Isocyaniminotriphenylphosphorane, (E)-Cinnamic Acids, Chloroacetone and Primary Amines

Bulletin of the Korean Chemical Society, 2011, 32(8), , pp.2700-2704

2011

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BeX2 induced C-H bond activation: A concise computational glance

Chemical physics letters, 2020-12, Vol.761, p.138038, Article 138038

2020

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Borane and beryllium derivatives of sulfuric and phosphoric acids: Strong inorganic acids

Computational and theoretical chemistry, 2019-09, Vol.1164, p.112550, Article 112550

2019

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Very Efficient and Rapid Catalyst-free One-pot Three Component Synthesis of 2,5-Dihydro-5-imino-2-methylfuran-3,4-dicarboxylate Derivatives Under Ultrasound Irradiation

Bulletin of the Korean Chemical Society, 2012, 33(12), , pp.4127-4130

2012

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A brief computational look at the basicity strength of some experimentally observed strained allenes

Chemical physics letters, 2024-05, Vol.842, p.141221, Article 141221

2024

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Computationally design aspects of superbasic amidine-arsinine 1-oxide binary frameworks

Chemical physics letters, 2023-12, Vol.833, p.140905, Article 140905

2023

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One-pot, Three-component Synthesis of Fully Substituted 1,3,4-Oxadiazole Derivatives from (N-Isocyanoimino)triphenylphosphorane, Aromatic Carboxylic acids and (1R)-(-)-Campherchinon

Bulletin of the Korean Chemical Society, 2012, 33(2), , pp.453-458

2012

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Perlite–SO3H nanoparticles: very efficient and reusable catalyst for three-component synthesis of N-cyclohexyl-3-aryl-quinoxaline-2-amine derivatives under ultrasound irradiation

Journal of the Iranian Chemical Society, 2018-10, Vol.15 (10), p.2375-2382

2018

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Catalyst-free sonosynthesis of highly substituted propanamide derivatives in water

Ultrasonics sonochemistry, 2016-01, Vol.28, p.393-399

2016

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A detailed computational investigation on the structural and spectroscopic properties of propolisbenzofuran B

Green protocol for synthesis of MgFe2O4 nanoparticles and study of their activity as an efficient catalyst for the synthesis of chromene and pyran derivatives under ultrasound irradiation

DFT and NBO computational calculations support Schleyer’s hyperconjugative enhancement of aromaticity concept

Investigation of structural, electronic, and antioxidant properties of calycopetrin and xanthomicrol as two polymethoxylated flavones using DFT calculations

Palladium@silica-coated magnetic nanoparticles as efficient and recyclable catalysts for ligand-free Suzuki–Miyaura coupling reaction under mild conditions

DFT study on adsorbing and detecting possibility of cyanogen chloride by pristine, B, Al, Ga, Si and Ge doped graphene

Modeling and optimization of ultrasound-assisted green extraction and rapid HPTLC analysis of stevioside from Stevia Rebaudiana

Evaluation of structural properties and antioxidant capacity of Proxison: A DFT investigation

Fluoro-functionalized graphene as a promising nanosensor in detection of fish spoilage: A theoretical study

Density functional theory study towards capability of Ga-doped boron nitride nanosheet as a nanocarrier for 3-allyl-2 selenohydantoin anticancer drug delivery

Computational evaluation of B(OH)-doped graphene efficiency for detecting of Methyl isocyanate (MIC)

Full structural analysis of steviol: A DFT study

Molecular Investigations of the Newly Synthesized Azomethines as Antioxidants: Theoretical and Experimental Studies

Asymmetric cross-aldol reaction of isatin and ketones catalyzed by crude earthworm extract as efficient biocatalyst

A deeper computational look at Mumm rearrangement: Evaluation of substituent, solvent, and temperature effects

A stage-structured population model for activity-dependent dendritic spines

Preparation of Fully Substituted 1,3,4-Oxadiazole Derivatives from N-Isocyaniminotriphenylphosphorane, (E)-Cinnamic Acids, Chloroacetone and Primary Amines

BeX2 induced C-H bond activation: A concise computational glance

Borane and beryllium derivatives of sulfuric and phosphoric acids: Strong inorganic acids

Very Efficient and Rapid Catalyst-free One-pot Three Component Synthesis of 2,5-Dihydro-5-imino-2-methylfuran-3,4-dicarboxylate Derivatives Under Ultrasound Irradiation

A brief computational look at the basicity strength of some experimentally observed strained allenes

Computationally design aspects of superbasic amidine-arsinine 1-oxide binary frameworks

One-pot, Three-component Synthesis of Fully Substituted 1,3,4-Oxadiazole Derivatives from (N-Isocyanoimino)triphenylphosphorane, Aromatic Carboxylic acids and (1R)-(-)-Campherchinon

Perlite–SO3H nanoparticles: very efficient and reusable catalyst for three-component synthesis of N-cyclohexyl-3-aryl-quinoxaline-2-amine derivatives under ultrasound irradiation

Catalyst-free sonosynthesis of highly substituted propanamide derivatives in water

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