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Advanced exergy analysis of the Kalina cycle applied for low temperature enhanced geothermal system

Energy conversion and management, 2016-01, Vol.108, p.190-201

2016

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Exploration of Solvent Effects on the Spectroscopic Properties (Ir and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2 Carbyne Complex

Journal of structural chemistry, 2018-09, Vol.59 (5), p.1052-1057

Ghiasi, R.

2018

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Solvent Effect on the Nonlinear Optical Property in Cr(CO)3L Complexes (L = η6-Benzene and η6-Graphene): A Theoretical Study

Russian journal of physical chemistry. B, 2023-02, Vol.17 (1), p.27-35

2023

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Computational Exploration of Structural and Electroinc Peoperties of Ph–B12N12–C6F5 – nHn (n = 0–5) Molecules

Russian journal of physical chemistry. B, 2022-10, Vol.16 (5), p.839-845

2022

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HYDROGEN ADSORPTION AND STORAGE ON PALLADIUM-FUNCTIONALIZED GRAPHYNE AND ITS BORON NITRIDE ANALOGUE

Journal of structural chemistry, 2021-06, Vol.62 (6), p.835-844

2021

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Sensing Behavior of Hexagonal-Aluminum Nitride to Phosgene Molecule Based on Van der Waals–Density Functional Theory and Molecular Dynamic Simulation

Russian Journal of Physical Chemistry A, 2020-03, Vol.94 (3), p.581-589

2020

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CHEMISORPTION OF C2H2 ON C20 BOWL: A COMPUTATIONAL INVESTIGATION

Journal of structural chemistry, 2022-10, Vol.63 (10), p.1600-1609

2022

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SUBSTITUENT EFFECT IN [2+4] DIELS–ALDER CYCLOADDITION REACTIONS OF ANTHRACENE WITH C2X2 (X = H, F, Cl, Me): A COMPUTATIONAL INVESTIGATION

Journal of structural chemistry, 2021-10, Vol.62 (10), p.1551-1562

2021

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Solvent Effects on the Structure And Spectroscopic Properties of the Second-Generation Anticancer Drug Carboplatin: A Theoretical Insight

Journal of structural chemistry, 2018, Vol.59 (1), p.245-251

2018

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COMPUTATIONAL INVESTIGATION OF THE [sup.14]N NQR PARAMETERS OF BORAZYNE

Journal of applied spectroscopy, 2020-07, Vol.87 (3), p.538

2020

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Computational Investigation of the 14N NQR Parameters of Borazyne

Journal of applied spectroscopy, 2020-07, Vol.87 (3), p.538-544

2020

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Effect of External Electric Field on the Electronic Structure and Aromaticity of Cr(CO)3(η6-C6H6) Complex

Russian journal of inorganic chemistry, 2019-08, Vol.64 (8), p.1035-1040

2019

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HYDROGEN ADSORPTION AND STORAGE ON PALLADIUM-FUNCTIONALIZED C20 BOWL AND C20H10 BOWL MOLECULE INCLUDING HYDROGEN SATURATION

Journal of structural chemistry, 2022, Vol.63 (9), p.1399-1408

2022

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Theoretical Study of Tautomerization in 1,5-Dimethyl-6-Thioxo-1,3,5-Triazinane-2,4-Dione

Journal of structural chemistry, 2018-05, Vol.59 (3), p.541-549

2018

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Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)

Journal of structural chemistry, 2017-12, Vol.58 (7), p.1324-1331

2017

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Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study

Journal of structural chemistry, 2019-04, Vol.60 (4), p.547-555

2019

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Quantum Chemical Study of the Solvent Effect on the Anticancer Active Molecule of Iproplatin: Structural, Electronic, and Spectroscopic Properties (IR, 1H NMR, UV)

Journal of applied spectroscopy, 2017, Vol.83 (6), p.909-916

2017

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Cu–curcumin/MCM-41 as an efficient catalyst for in situ conversion of carbazole to fuel oxygenates: a DOE approach

Journal of nanostructure in chemistry, 2022-06, Vol.12 (3), p.307-327

2022

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Stability, Electronic, and Structural Features of the Conformers of 2-Methyl-1,3,2-Diheterophosphinane 2-Oxide (Heteroatom = O, S, Se): DFT and NBO Investigations

Journal of structural chemistry, 2019-05, Vol.60 (5), p.746-754

2019

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The effects of mebudipine on myocardial arrhythmia induced by ischemia-reperfusion injury in isolated rat heart

Cellular and molecular biology (Noisy-le-Grand, France), 2016-11, Vol.62 (13), p.15

2016

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THE IMPACT OF SOLVENT POLARITY ON THE STABILITY, ELECTRONIC PROPERTIES, AND [sup.1]H NMR CHEMICAL SHIFT OF THE CONFORMERS OF 2-CHLORO-3-METHYLCYCLOHEXAN-1-ONE OXIME: A CONCEPTUAL DFT APPROACH

Journal of applied spectroscopy, 2020-01, Vol.86 (6), p.1123

2020

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Theoretical approach to the molecular structure, chemical reactivity, molecular orbital analysis, spectroscopic properties (IR, UV, NMR), and NBO analysis of deferiprone

Journal of structural chemistry, 2017-12, Vol.58 (7), p.1307-1317

2017

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A theoretical study of the solvent effect on the interaction of C20 and N2H2

Journal of structural chemistry, 2017, Vol.58 (1), p.30-37

2017

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Substituent Effect on the Acidity Strength of para-C6H4XB(OH)2 Boronic Acid: A Theoretical Investigation

Journal of structural chemistry, 2019-11, Vol.60 (11), p.1743-1749

2019

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A new approach for optimization of combined cycle system based on first level of exergy destruction splitting

Sustainable energy technologies and assessments, 2020-02, Vol.37, p.100600, Article 100600

2020

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Advanced exergy analysis of the Kalina cycle applied for low temperature enhanced geothermal system

Exploration of Solvent Effects on the Spectroscopic Properties (Ir and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2 Carbyne Complex

Solvent Effect on the Nonlinear Optical Property in Cr(CO)3L Complexes (L = η6-Benzene and η6-Graphene): A Theoretical Study

Computational Exploration of Structural and Electroinc Peoperties of Ph–B12N12–C6F5 – nHn (n = 0–5) Molecules

HYDROGEN ADSORPTION AND STORAGE ON PALLADIUM-FUNCTIONALIZED GRAPHYNE AND ITS BORON NITRIDE ANALOGUE

Sensing Behavior of Hexagonal-Aluminum Nitride to Phosgene Molecule Based on Van der Waals–Density Functional Theory and Molecular Dynamic Simulation

CHEMISORPTION OF C2H2 ON C20 BOWL: A COMPUTATIONAL INVESTIGATION

SUBSTITUENT EFFECT IN [2+4] DIELS–ALDER CYCLOADDITION REACTIONS OF ANTHRACENE WITH C2X2 (X = H, F, Cl, Me): A COMPUTATIONAL INVESTIGATION

Solvent Effects on the Structure And Spectroscopic Properties of the Second-Generation Anticancer Drug Carboplatin: A Theoretical Insight

COMPUTATIONAL INVESTIGATION OF THE [sup.14]N NQR PARAMETERS OF BORAZYNE

Computational Investigation of the 14N NQR Parameters of Borazyne

Effect of External Electric Field on the Electronic Structure and Aromaticity of Cr(CO)3(η6-C6H6) Complex

HYDROGEN ADSORPTION AND STORAGE ON PALLADIUM-FUNCTIONALIZED C20 BOWL AND C20H10 BOWL MOLECULE INCLUDING HYDROGEN SATURATION

Theoretical Study of Tautomerization in 1,5-Dimethyl-6-Thioxo-1,3,5-Triazinane-2,4-Dione

Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)

Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study

Quantum Chemical Study of the Solvent Effect on the Anticancer Active Molecule of Iproplatin: Structural, Electronic, and Spectroscopic Properties (IR, 1H NMR, UV)

Cu–curcumin/MCM-41 as an efficient catalyst for in situ conversion of carbazole to fuel oxygenates: a DOE approach

Stability, Electronic, and Structural Features of the Conformers of 2-Methyl-1,3,2-Diheterophosphinane 2-Oxide (Heteroatom = O, S, Se): DFT and NBO Investigations

The effects of mebudipine on myocardial arrhythmia induced by ischemia-reperfusion injury in isolated rat heart

THE IMPACT OF SOLVENT POLARITY ON THE STABILITY, ELECTRONIC PROPERTIES, AND [sup.1]H NMR CHEMICAL SHIFT OF THE CONFORMERS OF 2-CHLORO-3-METHYLCYCLOHEXAN-1-ONE OXIME: A CONCEPTUAL DFT APPROACH

Theoretical approach to the molecular structure, chemical reactivity, molecular orbital analysis, spectroscopic properties (IR, UV, NMR), and NBO analysis of deferiprone

A theoretical study of the solvent effect on the interaction of C20 and N2H2

Substituent Effect on the Acidity Strength of para-C6H4XB(OH)2 Boronic Acid: A Theoretical Investigation

A new approach for optimization of combined cycle system based on first level of exergy destruction splitting

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