مقالات / Publications

Analyzing the impact of substitution on the temperature-sensitive release of doxorubicin in an imine-based covalent organic framework using molecular dynamics

Computational Materials ScienceOpen source preview224237112882

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Theoretical study of optoelectronic performance of hole-transporting material quinoxaline-based with architecture (D-A-D) in perovskite solar cells: A DFT method

Journal of Molecular LiquidsOpen source preview224398124296

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Enhanced efficiency of the azo dye-sensitized solar cell via the cooperation of graphene oxide and graphene oxide/polypyrrole: Experimental and computational studies

Electrochimica ActaOpen source preview224479143865

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Expansion strategy of carbazole connecting unit in linear hole transport materials for perovskite solar cells

Dyes and PigmentsOpen source preview224222111913

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Synergistic resonant molecular passivator of various defects for high-performance perovskite solar cells

Materials Today EnergyOpen source preview224411511

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Conformation Tailoring of Diphenylfluorene-Cored Isomers as Hole-Transport Materials for Perovskite Solar Cells

Solar RrlOpen source preview2248(4)23954

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Substitution Position Effects on Spiro[Fluorene-9,9′-Xanthene]-Diphenylamine Hole-Transporting Materials for Perovskite Solar Cells

Solar RrlOpen source preview2248(1)23824

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Two birds with one stone: dopant-free squaraine hole-transporting material for perovskite solar cell

Materials Today EnergyOpen source preview2233711411

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Extending the π-Conjugated System in Spiro-Type Hole Transport Material Enhances the Efficiency and Stability of Perovskite Solar Modules

Angewandte Chemie International EditionOpen source preview22362(29)e223435

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Nitrogen and chlorine co-doped carbon dots to enhance the efficiency of dye-sensitized solar cells

Diamond and Related MaterialsOpen source preview2231361146

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Metal and nitrogen co-doped carbon dots in the sensitized solar cells

Applied Organometallic ChemistryOpen source preview22337(4)e734

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Efficient furan-bridged dibenzofulvene-triphenylamine hole transporting materials for perovskite solar cells

Materials AdvancesOpen source preview2224(2)pp. 515–522

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Constructing hole transporting highway for high-efficiency perovskite solar cells

Synthetic MetalsOpen source preview222291117174

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Dopant-free hole conductor with hybrid multisite passivation for perovskite solar cells

Materials LettersOpen source preview222326132931

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A N-Ethylcarbazole-Terminated Spiro-Type Hole-Transporting Material for Efficient and Stable Perovskite Solar Cells

ChemsuschemOpen source preview22215(2)e2221485

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Effects of Heteroatom and Extending the Conjugation on Linear Hole-Transporting Materials for Perovskite Solar Cells

ACS Applied Energy MaterialsOpen source preview2225(9)pp. 1553–1561

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Resonant Molecular Modification for Energy Level Alignment in Perovskite Solar Cells

ACS Energy LettersOpen source preview2227(9)pp. 314–3111

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Dibenzo heterocyclic-terminated spiro-type hole transporting materials for perovskite solar cells

Journal of Materials Chemistry COpen source preview2221(3)pp. 1988–1994

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Isomeric D-π-D Dopant-Free Hole Transport Materials: Effect of the Substitution Position and Heteroatom on the Performance of Perovskite Solar Cells

ChemistryselectOpen source preview2227(25)e2221696

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Modulated bonding interaction in propanediol electrolytes toward stable aqueous zinc-ion batteries | 丙二醇电解液键结构调控及其水系锌离子电池稳定性研究

Science China MaterialsOpen source preview22265(5)pp. 1156–1164

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Multifunctional organic semiconductor for dopant-free perovskite solar cells

Synthetic MetalsOpen source preview22228511727

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Heteroatom engineering on spiro-type hole transporting materials for perovskite solar cells

Journal of Energy ChemistryOpen source preview22267pp. 19–26

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Effect of the substitution position and extending the conjugation in naphthalene-triphenylamine hole transport materials for perovskite solar cells

Synthetic MetalsOpen source preview22228411699

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The strategy for high-efficiency hole conductors by engineering short-range intramolecular interactions

Dyes and PigmentsOpen source preview22219719889

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Plasmon-enhanced dye-sensitized solar cells through porphyrin-silver nanop hybrid structures: Experimental and computational studies

Journal of Power SourcesOpen source preview2215112347

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C[tbnd]N-based carbazole-arylamine hole transporting materials for perovskite solar cells: Substitution position matters

Journal of Energy ChemistryOpen source preview22162pp. 563–571

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Effect of COF Presence on DNA Molecular Interactions: A QM/MM and MD Simulations Study

ChemistryselectOpen source preview2216(36)pp. 9541–9551

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Molecular tailor-making of zinc phthalocyanines as dopant-free hole-transporting materials for efficient and stable perovskite solar cells

Journal of Power SourcesOpen source preview221552395

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Heteroatom effect on linear-shaped dopant-free hole transporting materials for perovskite solar cells

Solar EnergyOpen source preview221221pp. 323–331

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Tetraphenylethylene-Arylamine Derivatives as Hole Transporting Materials for Perovskite Solar Cells

ACS Applied Materials and InterfacesOpen source preview22113(1)pp. 12322–1233

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The Design of Temperature and pH-Responsive Drug Delivery System Based on Cellulose and Aminated Cellulose by Computational and Experimental Methods

Journal of Computational Biophysics and ChemistryOpen source preview2212(2)pp. 189–2

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Pyridine-triphenylamine hole transport material for inverted perovskite solar cells

Journal of Energy ChemistryOpen source preview22154pp. 395–42

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Hole transporting material with passivating group (C[tbnd]N) for perovskite solar cells with improved stability

Dyes and PigmentsOpen source preview22118719129

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A computational study on the interactions between a layered imine-based COF structure and selected anticancer drugs

Journal of Molecular ModelingOpen source preview22127(2)44

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· Erratum

Corrigendum to “Phthalocyanine-silver nanop structures for plasmon-enhanced dye-sensitized solar cells”. [Solar Energy 198 (22) 283–294] (Solar Energy (22) 198 (283–294)(S3892X2368)(1.116/j.solener.22.1.53))

Solar EnergyOpen source preview22212pp. 349

Introducing ammonium salt into hole transporting materials for perovskite solar cells

Chemical CommunicationsOpen source preview2256(92)pp. 14471–14474

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Enhanced phthalocyanine-sensitized solar cell efficiency via cooperation of nitrogen-doped carbon dots

Journal of Cleaner ProductionOpen source preview22268122236

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Benzothiadiazole-based hole transport materials for high-efficiency dopant-free perovskite solar cells: Molecular planarity effect

Journal of Energy ChemistryOpen source preview2244pp. 115–12

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Fused tetraphenylethylene-triphenylamine as an efficient hole transporting material in perovskite solar cells

Chemical CommunicationsOpen source preview2256(21)pp. 3159–3162

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Phthalocyanine-silver nanop structures for plasmon-enhanced dye-sensitized solar cells

Solar EnergyOpen source preview22198pp. 283–294

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Two-dimensional triphenylene cored hole-transporting materials for efficient perovskite solar cells

Chemical CommunicationsOpen source preview2256(12)pp. 1879–1882

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Comparative Study of Linear and Starburst Ethane-Based Hole-Transporting Materials for Perovskite Solar Cells

Journal of Physical Chemistry COpen source preview22124(5)pp. 2886–2894

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Dopant-free benzothiadiazole bridged hole transport materials for highly stable and efficient perovskite solar cells

Dyes and PigmentsOpen source preview2217317954

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Rhodanine-Furan Bis-Heterocyclic Frameworks Synthesis via Green One-Pot Sequential Six-Component Reactions: A Synthetic and Computational Study

ChemistryselectOpen source preview2194(4)pp. 11893–11898

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Facile synthesis of simple arylamine-substituted naphthalene derivatives as hole-transporting materials for efficient and stable perovskite solar cells

Journal of Power SourcesOpen source preview219425pp. 87–93

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Exploration of the Binding Properties of the Azo Dye Pollutants with Nitrogen-Doped Graphene Oxide by Computational Modeling for Wastewater Treatment Improvement

ChemistryselectOpen source preview2194(19)pp. 5968–5978

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Simply designed nonspiro fluorene-based hole-transporting materials for high performance perovskite solar cells

Synthetic MetalsOpen source preview21925pp. 42–48

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In silico study on core-shell pseudodendrimeric glycoside structures in drug delivery related usages

PolyhedronOpen source preview21916pp. 1–19

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Computational DFT study on nickel symmetric bis(thiosemicarbazone) complexes: Electronic absorption and redox potentials

PolyhedronOpen source preview21916pp. 35–41

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Amino Acid Functionalized Single−Wall Carbon Nanotubes in Thermoresponsive Drug Delivery Systems: A Computational Study

ChemistryselectOpen source preview2194(4)pp. 1516–1524

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Synthesisspectroscopic characterizationand DFT studies of 1,2,3-triazole-based organosilicon compounds

Journal of Molecular StructureOpen source preview2181167pp. 2–28

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Synthesis and experimental/theoretical evaluations on redox potentials and electronic absorption spectra for copper symmetric bis(thiosemicarbazone) complexes

PolyhedronOpen source preview218151pp. 221–232

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Highly efficient ruthenium complexes with acetyl electron-acceptor unit for dye sensitized solar cells

Journal of Power SourcesOpen source preview218396pp. 559–565

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MD simulation studies on the effect of the temperature and protonation state on the imide-linked amino acid-based dendrimers

Computational Materials ScienceOpen source preview218151pp. 124–131

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A Computational Study on the Blocking Ability of Selected Commercially Available Anticancer Drugs and Their Hypothetic Derivatives on the CCR5

Assay and Drug Development TechnologiesOpen source preview21816(5)pp. 266–277

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The inhibitory effect of farnesiferol C against catalase; Kineticsinteraction mechanism and molecular docking simulation

International Journal of Biological MacromoleculesOpen source preview218113pp. 1258–1265

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Synthesis of graphene oxide supported copper–cobalt ferrite material functionalized by arginine amino acid as a new high–performance catalyst

Applied Organometallic ChemistryOpen source preview21832(1)e3965

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Ruthenium complexes as sensitizers with phenyl-based bipyridine anchoring ligands for efficient dye-sensitized solar cells

Journal of Materials Chemistry COpen source preview2186(35)pp. 9445–9452

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Nickel-substituted cobalt ferrite nanops supported on arginine-modified graphene oxide nanosheets: Synthesis and catalytic activity

Applied Organometallic ChemistryOpen source preview21731(12)e3859

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A computational study on the usability of amino acid-functionalised nitrogen-doped graphene oxides as temperature-responsive drug delivery systems

International Journal of HyperthermiaOpen source preview21733(7)pp. 785–795

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Ferrocene based nonlinear optical chromophores: synthesischaracterization and study of optical properties

Journal of Molecular LiquidsOpen source preview217244pp. 322–329

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Thiophene–Arylamine Hole-Transporting Materials in Perovskite Solar Cells: Substitution Position Effect

Energy TechnologyOpen source preview2175(1)pp. 1788–1794

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Destructive effect of non-enzymatic glycation on catalase and remediation via curcumin

Archives of Biochemistry and BiophysicsOpen source preview21763pp. 81–9

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The role of human CYP2C8 in the metabolizing of montelukast-like compounds: a computational study

Research on Chemical IntermediatesOpen source preview21743(8)pp. 4781–4794

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Insight into Electron-Donating Ancillary Ligands in Ruthenium Terpyridyl Complexes Configuration on Performances of Dye-Sensitized Solar Cells

Journal of Physical Chemistry COpen source preview217121(16)pp. 8752–8759

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Studies to reveal the nature of interactions between catalase and curcumin using computational methods and optical techniques

International Journal of Biological MacromoleculesOpen source preview21795pp. 55–556

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Nitrogen doped nanographene structures; Study on the adsorption of nucleobasesnucleotidesand their triphosphate derivatives using mixed dockingMDand QM/MM approaches

Journal of Chemical PhysicsOpen source preview217146(4)4415

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Exploration of the binding properties of the human serum albumin sites with neurology drugs by docking and molecular dynamics simulation

Journal of the Iranian Chemical SocietyOpen source preview21714(1)pp. 19–35

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Designsynthesis and characterization of ferrocene based V-shaped chromophores with modified nonlinear effect

Journal of Organometallic ChemistryOpen source preview217846pp. 397–46

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Unravelling the structural-electronic impact of arylamine electron-donating antennas on the performances of efficient ruthenium sensitizers for dye-sensitized solar cells

Journal of Power SourcesOpen source preview217346pp. 71–79

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Anthracene-arylamine hole transporting materials for perovskite solar cells

Chemical CommunicationsOpen source preview21753(69)pp. 9558–9561

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In silico study to evaluate the governing criteria in the BF3 catalyzed Diels-Alder reaction

Computational and Theoretical ChemistryOpen source preview216191pp. 176–185

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Synthesischaracterizationand electronic properties of novel Fc-DCM conjugated system; Experimental and computational studies

Journal of Organometallic ChemistryOpen source preview216811pp. 14–19

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A study on the interactions of amino acids with nitrogen doped graphene; DockingMD simulationand QM/MM studies

Physical Chemistry Chemical PhysicsOpen source preview21618(6)pp. 4352–4361

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A computational study on the Stability of dapdiamide D conformers

Physical Chemistry ResearchOpen source preview2164(4)pp. 567–581

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Evaluation of the effect of the chiral centers of Taxol on binding to β-tubulin: A docking and molecular dynamics simulation study

Computational Biology and ChemistryOpen source preview21556pp. 33–4

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A computational study on the mechanism and the transition states of the cyclization of 1-trifluoromethyl-1,3-dicarbonyl compounds with azides to form 1,2,3-triazoles

Computational and Theoretical ChemistryOpen source preview214143pp. 64–7

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Synthesis of a new library of pyrano-phenazine derivatives via a novel three-component protocol

Helvetica Chimica ActaOpen source preview21497(2)pp. 228–236

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on-water organic synthesis: L-proline catalyzed synthesis of pyrimidine-2,4-dione-benzo[g]- and dihydropyrano[2,3-g]chromene derivatives in aqueous media

Journal of the Iranian Chemical SocietyOpen source preview2131(2)pp. 37–317

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Investigation of origin of stereo-selectivity of BF 3·Et 2O-promoted allylboration of aldehydes in the presence of (R)-pinanediol by computational method

Computational and Theoretical ChemistryOpen source preview212999pp. 28–33

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A facile three- and four-component procedure toward the synthesis of functionalized pyrano- and benzo[f]quinoxaline derivatives

Molecular DiversityOpen source preview21216(3)pp. 453–461

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An unexpected route toward the synthesis of spiro-benzo[b]acridine-furan derivatives

Tetrahedron LettersOpen source preview21253(31)pp. 418–421

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An in silico study on the ring-size effect in ring enlargement Bellus-Claisen rearrangement

Computational and Theoretical ChemistryOpen source preview212981pp. 25–3

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A density functional theory approach toward substituent effect in Meerwein-Eschenmoser-Claisen rearrangement

Journal of Molecular ModelingOpen source preview21218(1)pp. 319–328

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Synthesis of functionalized coumarins

Iranian Journal of Chemistry and Chemical EngineeringOpen source preview2113(4)pp. 19–22

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An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions

Green ChemistryOpen source preview21113(3)pp. 582–585

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Investigation of substituent effect on the Johnson-Claisen rearrangement: A DFT approach

Journal of Molecular Structure THEOCHEMOpen source preview21961(1-3)pp. 83–87

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Direct sulfonation of methane to methanesulfonic acid

Industrial and Engineering Chemistry ResearchOpen source preview2149(16)pp. 7685–7686

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Unexpected Knoevenagel self-condensation reaction of tetronic acid: synthesis of a new class of organic heterocyclic salts

TetrahedronOpen source preview2166(1)pp. 1911–1914

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Pyridine-functionalized MCM-41 as an efficient and recoverable catalyst for the synthesis of pyran annulated heterocyclic systems

Chemical and Pharmaceutical BulletinOpen source preview2158(2)pp. 27–272

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Novel one-pot three- and pseudo-five-component reactions: Synthesis of functionalized benzo [g]- and dihydropyrano[2,3-g]chromene derivatives

Journal of Combinatorial ChemistryOpen source preview2911(6)pp. 956–959

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Synthesis of highly functionalized bis(4H-chromene) and 4H-benzo[g]chromene derivatives via an isocyanide-based pseudo-five-component reaction

Journal of Organic ChemistryOpen source preview2974(11)pp. 4372–4374

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119

Coumarin synthesis via knoevenagel condensation reaction in 1,1,3,3-N,N,N',N'- tetramethylguanidinium trifluoroacetate ionic liquid

Journal of the Iranian Chemical SocietyOpen source preview296(4)pp. 71–714

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