Keywords: طیف های IR و رامان; Difluoroboron acetylacetonates; X-ray diffraction; IR and Raman spectra; DFT calculations; Frequency shift correlations; Intermolecular interactions; ZIPITEXCCHWJTM-UHFFFAOYSA-N; MOWGMPMNCDDRSE-UHFFFAOYSA-N; DZJSJZADQWQZHW-UHFFFAOYSA-N;
مقالات ISI طیف های IR و رامان (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: طیف های IR و رامان; Histamine; IR and Raman spectra; DFT; NCA; NBO
Keywords: طیف های IR و رامان; Methyl-α and β- d-glucopyranoside; Methyl-β-d-xylopyranoside; IR and Raman spectra; Vibrational normal modes analysis; Modified Urey–Bradley–Shimanouchi force field
Keywords: طیف های IR و رامان; DFT; HOMO-LUMO; Molecular structure; NBO; Vibrational; IR and Raman spectra
Keywords: طیف های IR و رامان; Imidazopyridine; IR and Raman spectra
Keywords: طیف های IR و رامان; 2-Amino-4-methyl-3-nitropyridinium hydrogen oxalate; Deuterated salt; Temperature dependence; IR and Raman spectra; Crystal structure;
Keywords: طیف های IR و رامان; Nitrated benzanthrones; Environmental pollutants; Density Functional Theory; IR and Raman spectra; Mutagenic activity
Keywords: طیف های IR و رامان; Naproxen; IR and Raman spectra; Conformation; Hydrogen bonding; Dual scale factors; Scaled quantum mechanical force field (SQM-FF)
Keywords: طیف های IR و رامان; Polyaniline pernigraniline base (PANI PNB); Vibrational analysis; IR and Raman spectra; DFT; Model compounds
X-ray structures, solid state periodic DFT modeling and vibrational study of alkylenediammonium hexachlorostannates compounds NH3(CH2)nNH3SnCl6 (n = 3, 4, 5)
Keywords: طیف های IR و رامان; Alkylenediammonium; Hexachlorostannate; X-ray structure; IR and Raman spectra; Periodic DFT calculations;
Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol]
Keywords: طیف های IR و رامان; DFT; HOMO-LUMO; Molecular structure; NBO; Vibrational; IR and Raman spectra;
Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach
Keywords: طیف های IR و رامان; 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one; UV-Visible absorption spectra; IR and Raman spectra; Density functional theory; Chemical reactivity; Nonlinear optical properties;
Towards a better comprehension of interactions in the crystalline N-acetylbenzylamine and its sulphur analogue N-benzyl-ethanethioamide. IR, Raman, DFT studies and Hirshfeld surfaces analysis
Keywords: طیف های IR و رامان; IR and Raman spectra; Hydrogen bond; Hirshfeld surfaces; DFT calculations; HOMO and LUMO;
Conformational and vibrational investigations of L-Tryptophan zwitterion
Keywords: طیف های IR و رامان; L-Tryptophan; Conformational study; Vibrational assignments; IR and Raman spectra; NBO analysis;
Crystal structure, phonon and luminescence properties of AgRE(WO4)2 tungstates, where REâ¯=â¯Y, Pr, Nd, Sm - Lu
Keywords: طیف های IR و رامان; AgRE(WO4)2 tungstates; X-ray; IR and Raman spectra; Factor group analysis; Luminescence;
DFT study of the molecular and crystal structure and vibrational analysis of cisplatin
Keywords: طیف های IR و رامان; Alpha- and beta cisplatin; Periodic DFT; Modeling; IR and Raman spectra;
Electrical characterization, phase transition and vibrational spectroscopic investigations of a new organic-inorganic material (C7H10NO)SnCl3
Keywords: طیف های IR و رامان; Thermal analysis; NMR spectroscopy; IR and Raman spectra; Impedance analysis; AC conductivities;
Crystal and molecular structures, IR and Raman spectra, vibrational dynamics of aquo 7-methyl-1H-[1,2,3]triazolo[4,5-c]pyridinium nitrate - a new composite material
Keywords: طیف های IR و رامان; Aquo 7-methyl-1H-[1,2,3]triazolo[4,5-c]pyridinium nitrate; Crystal and molecular structures; IR and Raman spectra; DFT quantum chemical calculations;
Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH3(CH2)nNH3SiF6 (n = 4 and 6)
Keywords: طیف های IR و رامان; Butylenediammonium; Hexylenediammonium; Hexafluorosilicate; IR and Raman spectra; Periodic DFT calculations;
Vibrational assignments and structure of bis(3-amino-1- phenyl-2-buten-1-onato)copper(II) complex
Keywords: طیف های IR و رامان; Bis(3-amino-1-phenyl-2-buten-1-onato)copper(II); Density functional theory; IR and Raman spectra; HOMO–LUMO energies; Electron core potential (ECP)
Phase equilibria in the Cs2MoO4–ZnMoO4–Zr(MoO4)2 system, Crystal structures and properties of new triple molybdates Cs2ZnZr(MoO4)4 and Cs2ZnZr2(MoO4)6
Keywords: طیف های IR و رامان; Cesium; Zinc; Zirconium; Triple molybdates; Crystal structure; X-ray diffraction; IR and Raman spectra; Conductivity
FTIR and Raman spectra of CH(D)FClCF2OCHF derivatives of enflurane. Experimental and ab initio study
Keywords: طیف های IR و رامان; Enflurane; IR and Raman spectra; Anharmonicity; Ab initio calculations; Conformation; H bond;
The hydrazo-bond in 4,4â²-dimethyl-3,3â²-dinitro-2,2â²-hydrazobipyridine - Crystal structure, conformation and vibrational characteristics
Keywords: طیف های IR و رامان; 4,4â²-dimethyl-3,3â²-dinitro-2,2â²-hydrazobipyridine; Hydrazo bond; IR and Raman spectra; X-ray study; Quantum chemical calculations;
Theoretical vibrational spectra and thermodynamics of organic semiconductive tetrathiafulvalene and its cation radical
Keywords: طیف های IR و رامان; Organic conductors; DFT; IR and Raman spectra; SQMFF; Thermodynamics;
Molecular modeling, spectroscopic signature and NBO analysis of some building blocks of organic conductors
Keywords: طیف های IR و رامان; Organic semiconductors; TSF; DFT; IR and Raman spectra; NBO;
Synthesis, structural characterization and dielectric properties of (C6H9N2)2(Hg0.75Cd0.25)Cl4 compound
Keywords: طیف های IR و رامان; (C6H9N2)2(Hg0.75Cd0.25)Cl4; X-ray diffraction; IR and Raman spectra; NMR spectroscopy; Dielectric constant;
FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone
Keywords: طیف های IR و رامان; Chlorzoxazone; DFT; IR and Raman spectra; Tautomers; Solvent effects
The role of hydrogen bonds in the crystals of 2-amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate and 4-hydroxybenzenesulfonate – X-ray and spectroscopic studies
Keywords: طیف های IR و رامان; 2-Amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate; 2-Amino-4-methyl-5-nitropyridinium 4-hydroxybenzenesulfonate; Hydrogen bonds; IR and Raman spectra; X-ray study; Quantum chemical calculations
Conformation of azo-bridge in 3,3′-dinitro-2,2′-azobipyridine and its 4,4′(or 5,5′ or 6,6′)-dimethyl-derivatives: Vibrational studies and DFT quantum chemical calculations
Keywords: طیف های IR و رامان; Azopyridines; IR and Raman spectra; Vibrational characteristics of the azo-bond; Quantum chemical calculations; Methyl and nitro groups
Prediction of mutagenic activity of nitrophenanthrene and nitroanthracene isomers by simulated IR and Raman spectra
Keywords: طیف های IR و رامان; Nitrophenanthrenes; Nitroanthracenes; Nitro polycyclic aromatic hydrocarbons; IR and Raman spectra; Environmental organic pollutants; Mutagenic activity;
Accurate computational prediction of the structural and vibrational properties of s-triazine derivatives in vacuo. A DFT approach
Keywords: طیف های IR و رامان; Triazines; Atrazine; Prometryn; Simetryn; DFT; IR and Raman spectra;
Structure and vibrational properties of scheelite type Cd0.25RE0.5□0.25MoO4 solid solutions where □ is the cationic vacancy and RE = Sm–Dy
Keywords: طیف های IR و رامان; Cd0.25RE0.5□0.25MoO4 solid solutions; IR and Raman spectra; Phonon properties
Molecular structure, vibrational and EPR spectra of Cu(II) chloride complex of 4-amino-1-methylbenzene combined with quantum chemical calculations
Keywords: طیف های IR و رامان; IR and Raman spectra; EPR; DFT; 4-Amino-1-methylbenzene; Aniline derivatives; Cu(II) complex
Vibrational spectra, crystal structure, DFT quantum chemical calculations and conformation of the hydrazo - bond in 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine
Keywords: طیف های IR و رامان; 6-Methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine; Hydrazo bond; IR and Raman spectra; X-ray study; Quantum chemical calculations;
Interpretation of the IR and Raman spectra of morin by density functional theory and comparative analysis
Keywords: طیف های IR و رامان; Morin; Quercetin; IR and Raman spectra; Comparative analysis; M05-2X-6-311++G(d,p)
Synthesis, experimental and theoretical investigation of a new type nickel dithiolene complex
Keywords: طیف های IR و رامان; Dithiolene complexes; UV–Vis-NIR spectra; IR and Raman spectra; DFT calculations; Crystal structure; Cyclic voltammetry
Synthesis and study of tetramethylammonium hexafluoridozirconate and hexafluoridohafnate solvated by H2O·HF adducts and [N(CH3)4]2ZrF6
Keywords: طیف های IR و رامان; Fluoridozirconate; Fluoridohafnate; Crystal structure; H2O·HF adduct; Thermogravimetry; IR and Raman spectra; Quantum chemical calculations;
Intra- and inter-molecular hydrogen bonds, conformation and vibrational characteristics of hydrazo-group in 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers
Keywords: طیف های IR و رامان; 5-Nitro-2-(2-phenylhydrazinyl)pyridine; 3-(or 4 or 6)-Methyl-5-nitro-2-(2-phenylhydrazinyl)pyridine; IR and Raman spectra; Intra- and inter-molecular H-bonds; Vibrational characteristics of the hydrazo-bond
Experimental and theoretical study of vibrational spectra of palladium(II) β-diketonates
Keywords: طیف های IR و رامان; β-Diketonates of Pd(II); IR and Raman spectra; DFT calculations;
FT-IR and FT-Raman spectroscopic and DFT theoretical studies on 4-azabenzimidazole
Keywords: طیف های IR و رامان; 4-Azabenzimidazole; Tautomerism; DFT; IR and Raman spectra; TED
IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study
Keywords: طیف های IR و رامان; Nitroanthracenes; IR and Raman spectra; Density functional theory; Environmental pollutants; Mutagenic activity
Vibrations of polythiophenes
Keywords: طیف های IR و رامان; Polythiophenes; IR and Raman spectra; DFT;
Structural and IR and Raman spectral analysis of cyclo(His-Phe) dipeptide
Keywords: طیف های IR و رامان; Conformational analysis; Cyclic dipeptide; Density functional theory; IR and Raman spectra; Histidine; Phenylalanine; Cyclo(His-Phe)
A conformational analysis and vibrational spectroscopic investigation on 1,2-bis(o-carboxyphenoxy) ethane molecule
Keywords: طیف های IR و رامان; Glycol podands; Salicylic acid; IR and Raman spectra; SQM FF; Dual Scale Factors
Vibrational spectroscopic study on some Hofmann type clathrates: M(2-(1-cyclohexenyl)ethylamine)2Ni(CN)4·2benzene (M = Ni and Cd)
Keywords: طیف های IR و رامان; Hofmann type clathrates; Inclusion compounds; 2-(1-Cyclohexenyl)ethylamine; Benzene; IR and Raman spectra
Infrared and Raman studies of the anion ordering transitions in paramagnetic organometallic radical cation salts [Cp2Mo(dmit)]X (XÂ =Â PF6, SbF6)
Keywords: طیف های IR و رامان; Cp2Mo(dmit) complex; Charge-transfer salts; IR and Raman spectra; Anion ordering phase transitions;
Experimental and theoretical study of vibrational spectra of 3-nitrofluoranthene
Keywords: طیف های IR و رامان; Vibrational spectra; DFT calculations; IR and Raman spectra; Vibrational assignment; 3-Nitrofluoranthene;
Orientation and morphology of chloroaluminum phthalocyanine films grown by vapor deposition: Electrical field-induced molecular alignment
Keywords: طیف های IR و رامان; Chloroaluminum phthalocyanine; PVD under external electric field; Thin films; IR and Raman spectra; Isotopic shifts; DFT calculations; AFM;
Conformational preferences, experimental and theoretical vibrational spectra of cyclo(Gly-Val) dipeptide
Keywords: طیف های IR و رامان; Conformational analysis; Cyclic dipeptide; Density functional theory; IR and Raman spectra; Glycine; Valine;
Conformational analysis and vibrational spectroscopic investigation of l-proline–tyrosine (l-Pro–Tyr) dipeptide
Keywords: طیف های IR و رامان; Conformational analysis; Density functional theory; Dipeptide; IR and Raman spectra; Proline; Tyrosine