Keywords: ساختارهای مولکولی; Steam reforming; Carboxylic acids; Molecular structures; Nickel catalysts; Coke properties;
مقالات ISI ساختارهای مولکولی (ترجمه نشده)
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Keywords: ساختارهای مولکولی; Primary humic-like substances (HULIS); Combustion processes; Molecular structures; Thermochemolysis; Molecular markers;
Keywords: ساختارهای مولکولی; Oil and gas pipelines; Organic corrosion inhibitors; Film forming inhibition mechanism; Molecular structures; Inhibition efficiency;
Keywords: ساختارهای مولکولی; Schizophyllan; Exopolysaccharide (EPS); Recovery procedure; Rheological properties; Molecular structures;
Keywords: ساختارهای مولکولی; Schiff base; Molecular structures; X-ray diffraction; Quantum chemical parameters; Molecular docking; Inhibition efficiency;
Keywords: ساختارهای مولکولی; Metal complexes; Molecular structures; Quantum chemical parameters; Thermodynamic parameters; Antimicrobial activities;
Keywords: ساختارهای مولکولی; Hydroxyguanidine; Cyanamide; Zinc(II) complexes; Metal-mediated reaction; Molecular structures
Keywords: ساختارهای مولکولی; Raman; Infrared; Molecular structures; DFT; Ab initio; Benzocyclobutane
Keywords: ساختارهای مولکولی; Push-pull quinolones; Electronic transition energies; Tamm-Dancoff approximation; Substituent and solvent effect; Molecular structures;
Keywords: ساختارهای مولکولی; Ab initio calculations; Chalcogen-bonded complexes; Molecular structures; Interaction energies; Vibrational spectra
Keywords: ساختارهای مولکولی; Protein; Carbohydrate; Molecular structures; Crop residue
Keywords: ساختارهای مولکولی; Discrete models; Molecular structures; Prestress; Stiffness operator; Tangent stiffness operator
Keywords: ساختارهای مولکولی; Carbohydrates; Molecular structures; Acid-catalyzed conversion; Platform chemicals; Polymerization;
Keywords: ساختارهای مولکولی; Surface and interface; SFG spectroscopy; Molecular structures; PBME;
Keywords: ساختارهای مولکولی; Polymer surface; Molecular structures; SFG spectroscopy;
Keywords: ساختارهای مولکولی; Rice; Starch digestibility; Size exclusion chromatography; Molecular structures; Amylose; Amylopectin;
Structure and electrochemistry of proteins harboring iron-sulfur clusters of different nuclearities. Part III. [4Fe-4S], [3Fe-4S] and [2Fe-2S] iron-sulfur proteins
Keywords: ساختارهای مولکولی; [4Fe-4S], [3Fe-4S] and [2Fe-2S] metalloproteins; Respiratory Complex II; Molecular structures; Electrochemistry;
Structure and electrochemistry of proteins harboring iron-sulfur clusters of different nuclearities. Part II. [4Fe-4S] and [3Fe-4S] iron-sulfur proteins
Keywords: ساختارهای مولکولی; [4Fe-4S] and [3Fe-4S] metalloproteins; Molecular structures; Electrochemistry;
Synthesis, molecular structure, and metabolic stability of new series of N'-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1H-pyrazol-1-yl)amidine as potential anti-cancer agents
Keywords: ساختارهای مولکولی; Benzenesulfonamides; Anticancer activity; Molecular structures; Metabolic stability; Cell cycle flow cytometry analysis;
Synthesis and structure of nonacoordinated tris-chelate lanthanide (III) complexes with tridentate 2,4,6,8-tetrakis(tert-butyl)-9-hydroxyphenoxazin-1-one ligands
Keywords: ساختارهای مولکولی; Lanthanides; Magnetic properties; Nonacoordinated complexes; Molecular structures;
A py-GC/MS technique for structural elucidation of rubber samples to investigate regional effects on bio-coagulated natural rubber
Keywords: ساختارهای مولکولی; NR; Py-GC/MS analysis; Molecular structures; Coagulation processing; Rubber-productions of origin;
The competition between chemistry and biology in assembling iron-sulfur derivatives. Molecular structures and electrochemistry. Part IV. {[Fe3S4](SγCys)3} proteins
Keywords: ساختارهای مولکولی; {[Fe3S4](SγCys)3} proteins; Synthetic {[Fe3S4](LS3)} complexes; Molecular structures; Electrochemistry;
Benzimidazole: Small planar molecule with diverse anti-corrosion potentials
Keywords: ساختارهای مولکولی; Benzimidazoles; Corrosion; Industrial metals; Molecular structures; Corrodent;
Thiophene based imino-pyridyl palladium(II) complexes: Synthesis, molecular structures and Heck coupling reactions
Keywords: ساختارهای مولکولی; Imino-pyridyl; Palladium; Synthesis; Molecular structures; Heck reactions;
Structure and electrochemistry of proteins harboring iron-sulfur clusters of different nuclearities. Part I. [4Fe-4S]Â +Â [2Fe-2S] iron-sulfur proteins
Keywords: ساختارهای مولکولی; [4Fe-4S]Â +Â [2Fe-2S] metalloproteins; Molecular structures; Electrochemistry;
The competition between chemistry and biology in assembling iron-sulfur derivatives. Molecular structures and electrochemistry. Part V. {[Fe4S4](SCysγ)4} proteins
Keywords: ساختارهای مولکولی; {[Fe4S4](SCysγ)4} proteins; Synthetic analogs; Molecular structures; Electrochemistry;
Effect of ligand modification on hydrogen production catalyzed by iron(III) complexes supported by amine-bis(phenolate) ligands
Keywords: ساختارهای مولکولی; Iron complexes; Molecular structures; Electrocatalysts; Proton reduction; Hydrogen evolution;
Geometrical structures, molecular docking, spectroscopic characterization of mixed ligand and Schiff base metal complexes
Keywords: ساختارهای مولکولی; Mixed-ligand complexes; Supramolecular structure of Schiff base; Molecular structures; Molecular docking; Cu(II)/Zn(II) complexes; ESR study;
Thermal properties, geometrical structures, antimicrobial activity and DNA binding of supramolecular azo dye complexes
Keywords: ساختارهای مولکولی; Molecular structures; Molecular docking; Antimicrobial activity; Catalytic oxidation; Thermodynamic parameters;
The competition between chemistry and biology in assembling iron–sulfur derivatives. Molecular structures and electrochemistry. Part III. {[Fe2S2](Cys)3(X)} (X = Asp, Arg, His) and {[Fe2S2](Cys)2(His)2} proteins
Keywords: ساختارهای مولکولی; {[Fe2S2](Cys)3(X)} (X = Asp, Arg, His) and {[Fe2S2](Cys)2(His)2} proteins; Synthetic {[Fe2S2](S-X)2(N-X’)2} complexes; Molecular structures; Electrochemistry
Synthesis, characterization, and structure-activity relationship of the antimicrobial activities of dinuclear N-heterocyclic carbene (NHC)-silver(I) complexes
Keywords: ساختارهای مولکولی; Dinuclear silver(I) complexes; N-heterocyclic carbene (NHC) ligands; Molecular structures; Antimicrobial activities; Structure-activity relationship;
Synthesis and structural characterisation of tetrahedral zinc(II) and trigonal bipyramidal cadmium(II) complexes containing N′-cyclohexyl substituted N,N-bispyrazolyl ligand
Keywords: ساختارهای مولکولی; Zinc(II); Cadmium(II); Molecular structures; Methyl methacrylate polymerisation; Syndiotacticity
Cobalt(II) complexes containing N′-substituted N,N′,N-bis((1H-pyrazol-1-yl)methyl)amine ligands: The formation of four-coordinate or five-coordinate complexes as a function of the N′-substitution group in N,N′,N-bis((1H-pyrazol-1-yl)methyl)amine
Keywords: ساختارهای مولکولی; N′-substituted N,N′,N-bis((1H-pyrazol-1-yl)methyl)amine; Co(II) complexes; Molecular structures; Methyl methacrylate polymerization; Syndiotacticity
Polymer complexes. LX. Supramolecular coordination and structures of N(4-(acrylamido)-2-hydroxybenzoic acid) polymer complexes
Keywords: ساختارهای مولکولی; Polymer complexes; Thermogravimetric analysis; Thermodynamic parameters; Molecular structures; ESR; Quantum chemical parameters
The evolution of the structural, vibrational and electronic properties of the cyclic ethers – on ring size. An ab initio study
Keywords: ساختارهای مولکولی; Ab initio calculations; Molecular structures; Vibrational spectra; Atomic charges
The competition between chemistry and biology in assembling iron–sulfur derivatives. Molecular structures and electrochemistry. Part II. {[Fe2S2](SγCys)4} proteins
Keywords: ساختارهای مولکولی; [Fe2S2](SγCys)4}proteins; Biomimetic {[Fe2S2](S-X)4} complexes; Molecular structures; Electrochemistry
Imino-quinolyl palladium(II) and platinum(II) complexes: Synthesis, characterization, molecular structures and cytotoxic effect
Keywords: ساختارهای مولکولی; Imino-quinolyl; Palladium; Platinum; Molecular structures; Cancer; Cytotoxicity
Structural and diffusion properties of formamide/water mixture interacting with TiO2 surface
Keywords: ساختارهای مولکولی; Formamide molecule; Water; Surface; Catalysts; Molecular structures
Conformations of monoylidic diester triphenylphosphonium ylides
Keywords: ساختارهای مولکولی; Triphenylphosphonium ylides; Molecular structures; NMR and IR spectroscopy; HF and DFT calculations; X-ray crystallography
Imino-phosphine palladium(II) and platinum(II) complexes: Synthesis, molecular structures and evaluation as antitumor agents
Keywords: ساختارهای مولکولی; Imino-phosphine; Palladium; Platinum; Synthesis; Molecular structures; Antitumor
Synthesis and characterization of half-sandwich Rh, Ir complexes containing mono-thiolate-ortho-carborane ligand
Keywords: ساختارهای مولکولی; Carborane; Half-sandwich complexes; Iridium; Rhodium; Molecular structures
Novel complexes of zirconium and uranium derived from bifunctional azodyes donor ligands containing hydrogen bonds
Keywords: ساختارهای مولکولی; Molecular structures; Zr(IV) and UO2(II) azo complexes; Hydrogen-bonding; Bond distance; Force constant
Cyclopropenyl cation – the simplest Huckel's aromatic molecule – and its cyclic methyl derivatives in Titan's upper atmosphere
Keywords: ساختارهای مولکولی; Titan; Upper atmosphere; Carbocations; Organic chemistry; Molecular structures; Spectroscopic observations
Neural network-particle swarm modeling to predict thermal properties
Keywords: ساختارهای مولکولی; Particle swarm optimization; Artificial neural networks; Biological algorithms; Thermal properties; Molecular structures
The competition between chemistry and biology in assembling iron–sulfur derivatives. Molecular structures and electrochemistry. Part I. {Fe(SγCys)4} proteins
Keywords: ساختارهای مولکولی; Single-{Fe(SγCys)4} proteins; Double-{Fe(SγCys)4} proteins; Molecular structures; Electrochemistry
B–H bond activation half-sandwich Ir and Ru complexes containing carboranylamidinate selenolate ligands
Keywords: ساختارهای مولکولی; Carboranylamidinate; Selenolate; Half-sandwich; B–H activation; Molecular structures
Synthesis and crystal structures of new potential chelating sulfonylamidophosphate ligands
Keywords: ساختارهای مولکولی; Sulfonylamidophosphates; Ligand design; Molecular structures
Ab initio studies of some hydrogen-bonded complexes of fluoroform – Evidence for blue-shifted behaviour
Keywords: ساختارهای مولکولی; Ab initio; Molecular complexes; Hydrogen bonding; Molecular structures; Interaction energies; Vibrational spectra
Bis(ferrocenylimine)palladium(II) and platinum(II) complexes: Synthesis, molecular structures and evaluation as antitumor agents
Keywords: ساختارهای مولکولی; Ferrocenylimine; Palladium; Platinum; Molecular structures; Cytotoxicity; Cancer; Cisplatin
Ab initio studies of the properties of some halogen-bonded complexes of ammonia, water, phosphine and hydrogen sulphide
Keywords: ساختارهای مولکولی; Ab initio calculations; Halogen-bonded complexes; Interaction energies; Molecular structures; Vibrational spectra;