Keywords: NMR پویا; Dynamic NMR; Chemical exchange; Restricted amide rotation; Steric hindrance;
مقالات ISI NMR پویا (ترجمه نشده)
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Keywords: NMR پویا; Pyrazolobenzodiazonine; Pyrazolobenzodiazecine; Structural analysis; X-ray diffraction; DFT calculations; Dynamic NMR;
Keywords: NMR پویا; Perylenediimide; Rigid core chromophores; Sonogashira coupling; Dynamic NMR; Conformational exchange;
Keywords: NMR پویا; (−)-cytisine; P,O-ligands; Allylic substitution; Dynamic NMR; DFT calculations
Stereochemical investigation of N-formyl-2,7-diphenyl-1,4-diazepan-5-ones by NMR spectroscopy and single crystal X-ray diffraction studies
Keywords: NMR پویا; N-Formyl-2,7-diphenyl-1,4-diazepan-5-ones; 1D & 2D NMR; syn and anti rotamers; Flattened boat; Single crystal; Dynamic NMR;
Cyanocyclohexane: Axial-to-equatorial “seesaw” parity in gas and condensed phases
Keywords: NMR پویا; Cyanocyclohexane; Gas-phase electron diffraction; Dynamic NMR; Quantum chemical calculations; Equatorial-to-axial equilibrium; Molecular structure;
Synthesis, structures and stereodynamic behavior of novel pentacoordinate (OâSi)-Chelate Difluoro(methyl)silylmethyl derivatives of amides and imides
Keywords: NMR پویا; Pentacoordinated difluorosilanes; Synthesis; X-ray; Dynamic NMR; Permutational isomerization; Quantum-chemical calculations;
Conformation-mediated Förster resonance energy transfer (FRET) in blue-emitting polyvinylpyrrolidone (PVP)-passivated zinc oxide (ZnO) nanoparticles
Keywords: NMR پویا; PVP; polyvinylpyrrolidone; FRET; Förster resonance energy transfer; NMR; nuclear magnetic resonance; DLS; dynamic light scattering; PL/PLE; photoluminescence emission and excitation; ZnO nanoparticle; Polyvinylpyrrolidone (PVP); Förster resonance energy
Chirality of the trisubstituted nitrogen center - XRD, dynamic NMR, and DFT investigation of 1,2-dihydrobenzo[e][1,2,4]triazine derivatives
Keywords: NMR پویا; Chirality; Dynamic NMR; Heterocyclic chemistry; Single crystal XRD; DFT calculations; ZIQHUOBWGNBVFO-UHFFFAOYSA-N; HBYKZYPFZRNYBV-UHFFFAOYSA-N;
Synthesis and NMR spectroscopic conformational analysis of benzoic acid esters of mono- and 1,4-dihydroxycyclohexane, 4-hydroxycyclohexanone and the -ene analogue - The more polar the molecule the more stable the axial conformer
Keywords: NMR پویا; Conformational analysis; A-values of COOAr on cyclohexane; Benzoic acid esters; Dynamic NMR; DFT calculations;
Crystal structure and dynamic NMR studies of octaacetyl-tetra(propyl)calix[4]resorcinarene
Keywords: NMR پویا; Resorcinarene; Acetylation; Boat conformation; Dynamic NMR;
Activation energies of intermolecular dynamics in ethylenediaminetetraacetate complexes with lanthanides: An effect of the “gadolinium break”
Keywords: NMR پویا; EDTA4â; ethylenediaminetetraacetate anion; DTPA; diethylenetriaminepentaacetic acid; H4DOTA; 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid; MRI; magnetic resonance imaging; NMR; nuclear magnetic resonance; DNMR; dynamic NMR; CE; chemical exch
Preparation, structure, and dynamic and electrochemical behaviors of dinuclear rhodium(I) complexes with bridging formamidinato ligands
Keywords: NMR پویا; Dirhodium(I) complexes; Formamidinato ligand; Crystal structures; Dynamic NMR; Cyclic voltammogram; 4-Me-pf; N,Nâ²-bis(4-methylphenyl)formamidinato; 3,5-Me2-pf; N,Nâ²-bis(3,5-dimethylphenyl)formamidinato; 2,6-F2-pf; N,Nâ²-bis(2,6-difluorophenyl)formami
Synthesis, characterisation, conformational preferences, dynamic NMR studies and antimicrobial evaluation of N-nitroso- and N-formyl-c-3,t-3-dimethyl-r-2,c-7-diphenyl-1,4-diazepan-5-ones
Keywords: NMR پویا; c-3,t-3-dimethyl-r-2,c-7-diphenyl-1,4-diazepan-5-one; NMR spectra; Dynamic NMR; Alternate chair; Flattened boat; N-nitroso; N-formyl diazepan-5-one
Fluxional Pd(II) NHC complexes – Synthesis, structure elucidation and catalytic studies
Keywords: NMR پویا; Palladium(II); NHC complexes; Dynamic NMR; DFT calculations; Catalytic studies
Synthesis and photophysical characterization of a bis-pincer osmium complex
Keywords: NMR پویا; Pincer ligand; Osmium complex; Dynamic NMR; Phosphorescence; Metal centered excited state;
Synthesis of triazenes by using aryl diazonium silica sulfates under mild conditions
Keywords: NMR پویا; Aryl diazonium silica sulfates; Secondary amines; Aryltriazenes; Mild conditions; Dynamic NMR; Rotational barrier energy
A relativistic DFT study on the structure and property of M(MÂ =Â Ba, Sr) @ C74 (D3h)
Keywords: NMR پویا; M@C74; Relativistic DFT; Energy potential surface; Dynamic NMR; Raman;
Synthesis, characterization and dynamic NMR studies of a novel chalcone based N-substituted morpholine derivative
Keywords: NMR پویا; Morpholine; Dynamic NMR; Ring inversion
Atropisomerism in 1-(2-adamantyl)naphthalene Derivatives
Keywords: NMR پویا; Adamantanes; Naphthalenes; Atropisomers; DFT calculations; Dynamic NMR
Spectroscopic and dynamic NMR study, X-ray crystallography and DFT calculations of two phosphoramidates: (C4H3O2)P(O)(Cl)C6H14N and (C4H3O2)P(O)(C6H11NH)2
Keywords: NMR پویا; Phosphoramidate; Crystal structure; Coalescence energy; DFT calculations; Insecticides; Dynamic NMR
Synthesis, characterization, and conformational analysis of new perfunctionalized calix[9]arenes
Keywords: NMR پویا; Calix[9]arene; X-ray structures; Perfunctionalization; Conformational analyses; Dynamic NMR;
Synthesis and conformational properties of substituted 1,4,2-oxazasilinanes: low temperature NMR study and quantum chemical calculations
Keywords: NMR پویا; 1,4,2-Oxazasilinanes; Conformational analysis; Dynamic NMR; X-ray analysis; Quantum chemical calculations;
Conformational analysis of polymethine dyes derived from the 2-azaazulene
Keywords: NMR پویا; Azaazulenes; Cyanine dyes; Styryles; Conformational analysis; Dynamic NMR; DFT
Synthesis and NMR spectroscopic conformational analysis of esters of 4-hydroxy-cyclohexanone-the more polar the molecule the more stable the axial conformer
Keywords: NMR پویا; 4-Substituted cyclohexanones; Conformational analysis; Dynamic NMR; Simulation of 1H NMR spectra; Quantum chemical calculations; ALTONA equation;
Conformational preferences of Si-Ph,H and Si-Ph,Me silacyclohexanes and 1,3-thiasilacyclohexanes. Additivity of conformational energies in 1,1-disubstituted heterocyclohexanes
Keywords: NMR پویا; Conformational analysis; Heterocycles; Dynamic NMR; Theoretical calculations; Additivity of conformational energies;
Conformation and stereodynamics of 1,2-diaryltetrahydropyrimidine and of its five- and seven-membered ring analogs
Keywords: NMR پویا; Nitrogen heterocycles; Conformational analysis; Axial chirality; Dynamic NMR; DFT calculations;
Dynamic behavior of [(η5-C5H4CH3)Cr(CO)2(μ-SBu)Pt(PPh3)2] in solution
Keywords: NMR پویا; Platinum; Chromium; Cyclopentadienyl complex; Dynamic NMR; NOESY; 2-D EXSY
A complete 1D and 2D NMR studies of variously substituted 3-azabicyclo[3.3.1]nonan-9-ones
Keywords: NMR پویا; 1D NMR; one-dimensional nuclear magnetic resonance spectroscopy; 2D NMR; two-dimensional nuclear magnetic resonance spectroscopy; s; singlet; br s; broad singlet; d; doublet; dd; doublet of doublets; ddd; doublet of doublet of doublets; dt; doublet of tri
Cautionary note: Linewidth effect in dynamic NMR
Keywords: NMR پویا; Dynamic NMR; Diphenylpicrylhydrazine; Hindered rotation; Line-width effect; Activation parameters
Metal complexes of N-o-chlorobenzamido-meso-tetraphenylporphyrin: cis-Tl(N-NCO(o-Cl)C6H4-tpp)(OAc) and trans-Cd(N-NHCO(o-Cl)C6H4-tpp)(OAc) (tpp = 5, 10, 15, 20-tetraphenylporphyrinate)
Keywords: NMR پویا; Thallium; Cadmium; X-ray diffraction; N-Substituted-N-aminoporphyrin; Dynamic NMR
Dynamic NMR investigation of two new interconvertible diasteriomeric epimers of natural 2-benzyl-2-hydroxybenzofuranone derivative from Pterocarpus marsupium
Keywords: NMR پویا; Dynamic NMR; Deuterium NMR; Mechanism and Pterocarpus marsupium;
Strong intramolecular hydrogen bonding within the dimedone–aldehyde adducts
Keywords: NMR پویا; Ionic hydrogen bonds; Dynamic NMR; Theoretical calculations
Dynamic NMR spectroscopy of three 2,2′-dialkyl/aryl-1-picrylhydrazines in liquid solution
Keywords: NMR پویا; Dynamic NMR; Diarylpicrylhydrazine; Dialkylpicrylhydrazine; Hindered rotation; Atropisomers; Activation parameters
Conformational structure of the unsymmetrical monomethine cyanine bearing 2-azaazulene and 2-benzothiazole residues as terminal groups: Experimental and quantum-chemical investigation
Keywords: NMR پویا; Azaazulenes; Conformational analysis; Monomethine cyanine; Dynamic NMR; DFT calculations;
Monte Carlo simulation of NMR lineshapes in chemically exchanging spin systems
Keywords: NMR پویا; DNMR; Dynamic NMR; Spectrum simulation; Monte Carlo method; Lineshape analysis;
Conformational isomerism in 1,2-di-o-tolylnaphthalenes: selective rotation of the 2-aryl ring
Keywords: NMR پویا; 1,2-Diarylnaphthalenes; Conformational behavior; Selective rotation; Dynamic NMR;
Experimental and ab initio study on structures and internal barriers to rotation in α-stannyl, germanium, and silicon carbamates
Keywords: NMR پویا; α-Stannyl carbamates; α-Germanium carbamates; α-Silicon carbamates; Dynamic NMR; Ab initio calculation
Synthesis, spectroscopy, computational study and prospective biological activity of two novel 1,3,2-diazaphospholidine-2,4,5-triones
Keywords: NMR پویا; Phospholidine; Phosphoramidate; Dynamic NMR; Free energy of activation; Ab initio calculation; Biological activity prediction
Synthesis, ethylene polymerization and dynamic features of titanium and zirconium complexes bearing chelating malonate-based enaminoketonato ligands
Keywords: NMR پویا; Ti and Zr complexes; Dynamic NMR; Polymerization; (N,O)-ligands
Conformational analysis of a covalently cross-linked Watson–Crick base pair model
Keywords: NMR پویا; Nucleic acids; DNA; Covalent cross-linked base pair; Watson–Crick; Dynamic NMR
Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane: Perlin effect subject to heteroatom substitution
Keywords: NMR پویا; N-Trifluoromethylsulfonyl derivatives of azinanes; Dynamic NMR; Theoretical calculations; Conformational analysis; Perlin effect;
Dynamic NMR studies of N-benzoyl pyrrolidine and N-benzoyl piperidine derivatives
Keywords: NMR پویا; Amides; Rotational barrier; Dynamic NMR; Theoretical study
N-Trifyl substituted 1,4-diheterocyclohexanes-stereodynamics and the Perlin effect
Keywords: NMR پویا; N-Trifluoromethylsulfonyl derivatives of azinanes; Conformation; Dynamic NMR; Perlin effect; DFT calculations;
Monte Carlo simulation of DNMR spectra of coupled spin systems
Keywords: NMR پویا; DNMR; Dynamic NMR; Spectrum simulation; Monte Carlo method; Lineshape analysis;
Synthesis, structure and dynamic stereochemistry of (O → Si)-chelate N-(trifluorosilylmethyl)-[N-(S)-(1-phenylethyl)]acetamide and 1-(trifluorosilylmethyl)-2-oxoperhydroazepine: Retention of the O → Si coordination in the adduct with KF and 18-crown-6
Keywords: NMR پویا; Pentacoordination; Hexacoordination; X-ray diffraction study; Stereochemical non-rigidity; Dynamic NMR; Quantum-chemical calculations
Sigmatropic and haptotropic rearrangements in organometallic chemistry
Keywords: NMR پویا; Fluxionality; Sigmatropic rearrangements; Haptotropic rearrangements; Dynamic NMR; Organometallic complexes; Sigmatropic shifts
The rotation of pentaphenylphenyl groups and their terminal phenyl groups: a variable-temperature 1H NMR study on an albatrossene and a three-bladed molecular propeller
Keywords: NMR پویا; Conformational analysis; Dynamic NMR; Polyphenylenes; Oligophenylenes;
Experimental and theoretical studies on inversion dynamics of dichloro(l-difluoromethionine-N,S)platinum(II) and dichloro(l-trifluoromethionine-N,S)platinum(II) complexes
Keywords: NMR پویا; Difluoromethionine; Trifluoromethionine; Platinum complexes; Dynamic NMR; B3LYP/SDD
Investigation of the barrier to the rotation of carbamate and amide C-N bonds in antidepressant (6aRâ,11bSâ)-7-[carbobenzyloxy-l-alanyl]-2-[(4-methylphenyl)sulfonyl]-1,2,3,4,6,6a,7,11b,2,12a(S)-decahydropyrazino[2â²,1â²:6,1]pyrido[3,4-b]indole by dy
Keywords: NMR پویا; Dynamic NMR; Carbamate; Rotational barrier; Decahydropyrazino[2â²,1â²:6,1]pyrido[3,4-b]indole;