Study on molecular structure, spectroscopic behavior, NBO, and NLO analysis of 3-methylbezothiazole-2-thione
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; FT-Raman; NBO; NLO
مقالات ISI طیف سنجی مادون قرمز تبدیل فوریه (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.
Basal buffer systems for a newly glycosylated recombinant human interferon-β with biophysical stability and DoE approaches
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Interferon; Design of experiment (DoE); Differential Scanning Calorimetry (DSC); FT-IR; Protein formulation; Biobetter
Thermal, structural, functional, optical and magnetic studies of pure and Ba doped CdO nanoparticles
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Ba-doped CdO NPs; TG–DTA; XRD; FT-IR; UV–Vis–DRS
Vibrational spectral investigation, NBO, first hyperpolarizability and UV–Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 3,5-Dichlorobenzonitrile; m-Bromobenzonitrile; NBO; FT-IR; FT-Raman
Spectroscopic investigation (FT-IR, FT-Raman), HOMO–LUMO, NBO analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3-trifluoromethyl)-anilino]pyrimidine-5-carbonitrile, a potential chemotherapeutic agent
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; Pyrimidine; FT-IR; FT-Raman; Hyperpolarizability
FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl) imino]methyl)carbamate
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; Molecular docking; FT-IR; Methoxy; Hyperpolarizability
Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; Piperidine; FT-IR; FT-Raman; Molecular docking
Spectroscopic (FT-IR, FT-Raman and UV) investigation, NLO, NBO, molecular orbital and MESP analysis of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; FT-IR; FT-Raman; NLO; NBO; MESP
NBO, HOMO, LUMO analysis and vibrational spectra (FTIR and FT Raman) of 1-Amino 4-methylpiperazine using ab initio HF and DFT methods
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; FT-Raman; HF/DFT studies; NBO; HOMO–LUMO; 1-Amino-4-methylpiperazine
Molecular structure, FT-IR, FT-Raman, NBO, HOMO and LUMO, MEP, NLO and molecular docking study of 2-[(E)-2-(2-bromophenyl)ethenyl]quinoline-6-carboxylic acid
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; FT-IR; FT-Raman; Quinoline; MEP; Molecular docking
Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; Adamantane; FT-IR; FT-Raman; Molecular docking
FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; FT-Raman; NBO; NLO
Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; FT-Raman; Pyrazine; Carboxamide; PED
Synthesis, molecular structure, spectroscopic and theoretical studies on E-2-ethoxy-4-[(4-ethoxyphenylimino)methyl]phenol
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Schiff base; Crystal structure; PES scan; Density functional theory; FT-IR; Nonlinear optical effects
Quantum mechanical calculations and spectroscopic (FT-IR, FT-Raman and UV) investigations, molecular orbital, NLO, NBO, NLMO and MESP analysis of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl] benzene-1-sulfonamide
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 4MPTFM1HPB1SA; FT-IR; FT-Raman; NLO; NBO; MESP
Experimental and theoretical study on diethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioate using different levels of computational methods
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Ethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioates; DFT; GIAO; NMR chemical shifts; FT-IR; Ab initio
Vibrational spectroscopic and molecular docking study of (2E)-N-(4-chloro-2-oxo-1,2-dihydroquinolin-3-yl)-3-phenylprop-2-enamide
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; FT-IR; FT-Raman; Quinoline; MEP; Molecular docking
Structure activity studies of an analgesic drug tapentadol hydrochloride by spectroscopic and quantum chemical methods
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Tapentadol hydrochloride; FT-IR; FT-Raman; FT-NMR; DFT;
Spectral investigations, DFT computations and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; DFT; FT-IR; FT-Raman; Azatricyclo; Molecular docking
Vibrational spectra and electronic structure of 3-((1H-pyrrol-1-yl) methyl) naphthalen-2-ol – A computational insight on antioxidant active Mannich base
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 3-((1H-pyrrol-1-yl) methyl) naphthalen-2-ol (IFTN); Mannich base; FT-IR; FT-Raman; Nuclear Magnetic Resonance (NMR); Electronic structure
Understanding the fate and biological effects of Ag- and TiO2-nanoparticles in the environment: The quest for advanced analytics and interdisciplinary concepts
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; AF4; asymmetrical flow-field flow fractionation; AAS; atomic absorption spectroscopy; AFM; atomic force microscopy; AS; activated sludge; BET; Brunauer-Emmett-Teller sorption model; CCC; critical coagulation concentration; CDI; charge determining ions
Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: Guanidinium 4-nitrobenzoate
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Guanidinium 4-nitrobenzoate; NLO; NBO; FT-IR; FT-Raman; Soft molecule
Conformational stability, vibrational spectra, NLO properties, NBO and thermodynamic analysis of 2-amino-5-bromo-6-methyl-4-pyrimidinol for dye sensitized solar cells by DFT methods
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; FT-Raman; NBO analysis; NLO; HOMO–LUMO
Molecular structure, spectral investigation (1H NMR, 13C NMR, UV–Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Formononetin; FT-IR; FT-Raman; Hydrogen bonding; UV–Vis spectra; Reactivity descriptors
Investigation of the solubility enhancement mechanism of rebaudioside D using a solid dispersion technique with potassium sorbate as a carrier
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Solid dispersion; Steviol glycosides; Rebaudioside D; Solubility; SEM; Raman; FT-IR; XRD;
Growth and characterization of tris thiourea magnesium zinc sulphate single crystals
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Crystal growth; X-ray diffraction; FT-IR; NLO;
Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from TÂ =Â (298.15 to 323.15)Â K at atmospheric pressure
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 1-Butyl-3-methylimidazolium tetrafluoroborate; N-octyl-2-pyrrolidone; Redlich-Kister; FT-IR;
Green synthesis, characterization and antimicrobial activities of zinc oxide nanoparticles from the leaf extract of Azadirachta indica (L.)
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; ZnO NPs; Green synthesis; XRD; FT-IR; Antimicrobial activities;
Evaluation of physicochemical properties, proximate and nutritional composition of Gracilaria edulis collected from Palk Bay
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Physicochemical properties; Nutritional profile; FT-IR; Red alga; Sulphate content;
Expanded corn starch as a versatile material in atom transfer radical polymerization (ATRP) of styrene and methyl methacrylate
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; AGET-ATRP; activators generated by electron transfer-atom transfer radicalpolymerization; BIBB; 2-bromoisobutyryl bromide; CS; corn starch; EBriB; ethyl 2-bromoisobutyrate; ECS; expanded corn starch; FT-IR; Fourier transform infrared spectroscopy; LRP; li
Spectroscopic and statistical approach of archaeological artifacts recently excavated from Tamilnadu, South India
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; FT-IR; XRD; SEM-EDS; XRF; HCA; SiO2/Al2O3 concentration ratio;
Toward a comprehensive understanding of molecular doping organic semiconductors (review)
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Organic electronics; Molecular doping; Optical absorption; Structure; Electronic structure; COM; conjugated organic molecule; CP; conjugated polymer; CPX; ground-state charge transfer complex; DFT; density functional theory; EA; electron affinity; EF; Fer
Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity. Part 5
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Pyrido[1,2-c]pyrimidines; Antidepressants; Dual SSRI/5-HT1A activity; Quinoline derivatives; SERT; serotonin transporter; SAR; structure-activity relationship; 5-HT1AR; serotonin 5-HT1A receptors; 8-OH-DPAT; 8-hydroxy-2-(di-n-propylamino)tetralin; Ki; inh
Thin film nanocomposite reverse osmosis membrane modified by reduced graphene oxide/TiO2 with improved desalination performance
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; A; membrane effective area (m2); BSA; bovine serum albumin; Cf; concentration of salt in the feed solution (mg/L); Cp; concentration of salt in the permeate solution (mg/L); CSA; (+) 10-camphor sulfonic acid; FT-IR; Fourier transform infrared spectroscopy
A metabolomics approach to evaluate the effects of shiitake mushroom (Lentinula edodes) treatment in undernourished young rats
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Mushroom; Undernourishment; PIXE; FT-IR; Elemental concentration
Single step conversion of β-TCP to Na-modified hydroxyapatite and its application in green chemical synthesis of α, β-unsaturated compounds
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Ceramics; FT-IR; XPS; X-ray technique;
Preparation of high purity 1,2-diols by catalytic oxidation of linear terminal alkenes with H2O2 in the presence of carboxylic acids under solvent-free conditions
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; 1,2-Diol; Oxidation; Terminal alkenes; Raman; FT-IR
Biogenic copper oxide nanoparticles synthesis using Tabernaemontana divaricate leaf extract and its antibacterial activity against urinary tract pathogen
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Antibacterial activity; Copper oxide nanoparticles; FT-IR; SEM; TEM
Characterization and electronic spectral studies of 2-(naphthalen-1-yl)-4,5-diphenyl-1H-imidazole bound Fe2O3 nanoparticles
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; PIBMN; PI; FT-IR; SEM; EDS; XRD;
Structural, thermal and optical properties of CaBO and CaLiBO glasses doped with Eu3 +
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Glasses; Borate glasses; FT-IR; Thermal properties; CaLiBO glass
Highly fluorescent xerogels with entrapped carbon dots for organic scintillators
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Silica gel; Xerogel; Carbon quantum dots; Functionalization; FT-IR; Raman; Luminescence; Energy transfer;
Combining ab initio calculations and Fourier-transform infrared (FT-IR) spectroscopy for quantitative analysis of multicomponent systems in solution: Tautomer proportions of ethyl acetoacetate
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Ethyl acetoacetate; Tautomer; DFT; MP2; FT-IR
Spectroscopic and molecular modeling studies on the interactions of N-Methylformamide with superoxide dismutase
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; N-Methylformamide; Superoxide dismutase; FT-IR; Circular dichroism; Molecular docking
Effect of sintering temperature on structural and optical properties of indium(III) oxide nanoparticles prepared with Triton X-100 by hydrothermal method
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Indium(III) oxide nanoparticles; Hydrothermal method; Triton X-100; FT-IR; UV–visible; Photoluminescence
Molecular spectrum of lanthanide complexes with 2,3-dichlorobenzoic acid and 2,2-bipyridine
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Lanthanide complexes; FT-IR; FT-Raman; Vibrational assignment; Second derivative
Synthesis, spectral, thermal, optical and theoretical studies of (2E,6E)-2-benzylidene-6-(4-methoxybenzylidene)cyclohexanone
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Chalcone; Nuclear magnetic resonance spectroscopy; FT-IR; First-order molecular hyperpolarizability; Theoretical studies
Spectroscopic notes of Methyl Red (MR) dye
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; MR; DFT; B3LYP; FT-IR; Dipole moment; HOMO–LUMO energy gap
Growth and physical properties of an organic crystal for NLO applications: Guanidinium phenyl arsonate (GPA)
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Nonlinear optical materials; Crystal growth; X-ray diffraction; FT-IR; Optical properties
Optical, thermal and mechanical characterization of Al(III)/Sb(III)-doped tris(thiourea)zinc(II) sulphate crystals
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; Nonlinear optics; FT-IR; SEM; Thermal analysis; Mechanical properties
Structural analysis and magnetic properties of nanocrystalline NiCuZn ferrites synthesized via a novel gelatin method
Keywords: طیف سنجی مادون قرمز تبدیل فوریه; NiCuZn ferrites; XRD; TEM; FT-IR; Magnetic susceptibility