Keywords: نظریه کاربردی تابعی وابسته به زمان; Thermally activated delayed fluorescence; Time-dependent density functional theory; Reverse intersystem crossing; Isomeric effect; Yellow emission;
مقالات ISI نظریه کاربردی تابعی وابسته به زمان (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: نظریه کاربردی تابعی وابسته به زمان; Pyrene; Pyrene derivatives; Intramolecular charge transfer; Spectroscopy; Time-dependent density functional theory;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Prussian blue analogues; Charge-transfer transitions; Multifunctional materials; Optical properties;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Luminescent metal-organic frameworks; Time-dependent density functional theory; Nitro-explosives; Fluorescence quenching; Recognition mechanism;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Graphene oxide membrane; Time-dependent density functional theory; Transport; Disordering; Non-equilibrium state;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Two-photon absorption cross-sections; Optical sensors;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Curcumin; Enol; Diketone; Deprotonated form; Solvent polarity; Time-dependent density functional theory;
Keywords: نظریه کاربردی تابعی وابسته به زمان; DMSO; dimethylsulphoxide; TD-DFT; time-dependent density functional theory; ILCT; intraligand charge transfer; TRIR; time-resolved infra-red; LLCT; interligand charge transfer; THF; tetrahydrofuran; Bn; benzyl; Ph; phenyl; dfppyH; 2-(2,4-difluorophenyl)py
Keywords: نظریه کاربردی تابعی وابسته به زمان; Diphenylsulphone; Thermally activated delayed fluorescence; Density functional theory; Time-dependent density functional theory;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Naphthalimide; Excited-state proton transfer; Photoacid; Contact ion pair; Time-dependent density functional theory;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Thermally activated delayed fluorescence; Intramolecular charge-transfer; Time-dependent density functional theory; Transition Energy; Descriptor;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Pyrene; Phenothiazine; Promazine; UV/Vis absorption spectra; Fluorescence spectra; Time-dependent density functional theory;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Hydrogen-bonded cluster; Excited-state dynamics; Time-dependent density functional theory; Red shift;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Transition metals; Aromatic amino acids; Metal–ligand; Density functional theory; Spectroscopic analysis; Time-dependent density functional theory
Keywords: نظریه کاربردی تابعی وابسته به زمان; Carbazole derivatives; Electronic transition; Time-dependent density functional theory; 800 nm-fs laser; Two-photon absorption; 3D optical data storage
Keywords: نظریه کاربردی تابعی وابسته به زمان; Electron–electron collisions; Electronic dissipation; Time-dependent density functional theory; Metal cluster; Plasmon; Electron emission
Keywords: نظریه کاربردی تابعی وابسته به زمان; Microrheology; Colloidal dispersion system; Time-dependent density functional theory; Numerical calculation;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Electron dynamics; Attosecond pulse; Polarization angle;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Electronic circular dichroism; Chiral drugs; Absolute configuration; Time-dependent density functional theory
Keywords: نظریه کاربردی تابعی وابسته به زمان; Chiroptical properties; Artemisinin; Peroxide group; Absolute configuration; Time-dependent density functional theory
Keywords: نظریه کاربردی تابعی وابسته به زمان; Benzothiadiazole; Triphenylamine-based organic dyes; Dye sensitized solar cells; Charge recombination; Time-dependent density functional theory
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-Dependent Density Functional Theory; Circular Dichroism Spectroscopy; UV-Vis Spectroscopy; Excited States for Large Systems;
Keywords: نظریه کاربردی تابعی وابسته به زمان; Dye-sensitized solar cells; D–A–π–A dyes; Density functional theory; Time-dependent density functional theory; Quinoxaline-based dye; Auxiliary acceptor
Keywords: نظریه کاربردی تابعی وابسته به زمان; Dye-sensitized solar cell; Time-dependent density functional theory; Electronic structure; Lifetime; TiO2
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Electron dynamics in nanostructures; Grid-based finite difference method; Massive parallelization
Keywords: نظریه کاربردی تابعی وابسته به زمان; Electronic excited state; Hydrogen bond strengthening; Time-dependent density functional theory; Internal conversion;
Keywords: نظریه کاربردی تابعی وابسته به زمان; a-C; amorphous carbon; AES; auger electron spectroscopy; BOPP; biaxially-oriented polypropylene; DLC; diamond-like carbon; GIXRD; grazing-incidence X-ray diffraction; HACNT; horizontally aligned carbon nanotubes; HOPG; highly ordered pyrolytic graphite; L
Keywords: نظریه کاربردی تابعی وابسته به زمان; Density functional theory; Time-dependent density functional theory; Linear response; SCF all electron calculations; Spectroscopic constants; Excited states calculations for small molecules; 4-Components relativistic electronic structure theory; Spin-or
Keywords: نظریه کاربردی تابعی وابسته به زمان; Phenanthroimidazole; Iridium complexes; Red emission; Self-quenching; Electroluminescent properties; AFM; Atomic force microscopy; CT; charge transfer; DFT; density functional theory; EDLs; electrical double layers; EL; electroluminescence; Hppy; 2-phenyl
Synthesis and fluorescence of dihydro-[1,2,4]triazolo[4,3-a]pyridin-2-ium-carboxylates: An experimental and TD-DFT comparative study
Keywords: نظریه کاربردی تابعی وابسته به زمان; Cationic dyes; Excited state; Fluorescence; Time-dependent density functional theory; UV absorption; Triazolinium salts;
Quantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH data
Keywords: نظریه کاربردی تابعی وابسته به زمان; Molecular absorption spectroscopy; Multivariate curve resolution - alternating least squares; Time-dependent density functional theory; Initial estimates;
Quantitative diagnostics of ancient paper using THz time-domain spectroscopy
Keywords: نظریه کاربردی تابعی وابسته به زمان; Terahertz spectroscopy; Cellulose degradation; Paper aging; X-ray diffraction of semicrystalline polymers; Molecular weight determination; Time-dependent density functional theory;
Extractive from Hypericum ascyron L promotes serotonergic neuronal differentiation in vitro
Keywords: نظریه کاربردی تابعی وابسته به زمان; Cell differentiation; Chemical modification; Depression; Chinese medicine; Neural differentiation; Serotonergic neuron; ESCs; embryonic stem cells; 5-HT; 5-hydroxytryptamine; MPLC; medium pressure liquid chromatography; HPLC; high-performance liquid chrom
Absorption-energy calculations of chlorophyll a and b with an explicit solvent model
Keywords: نظریه کاربردی تابعی وابسته به زمان; Chl; chlorophyll; LHC; light harvesting complex; FMO; Fenna Matthews-Olson; QM; quantum mechanics; MM; molecular mechanics; DFT; density functional theory; TD-DFT; time-dependent density functional theory; HF; Hartree Fock; GAFF; generalized Amber force f
Carbon-supported Pt during aqueous phenol hydrogenation with and without applied electrical potential: X-ray absorption and theoretical studies of structure and adsorbates
Keywords: نظریه کاربردی تابعی وابسته به زمان; Hydrogenation; Electrocatalysis; X-ray absorption spectroscopy; TCH; thermal catalytic hydrogenation; ECH; electrocatalytic hydrogenation; EXAFS; extended X-ray absorption fine structure; XANES; X-ray absorption near edge spectroscopy; HAADF; high angle a
Metal complex strategies for photo-uncaging the small molecule bioregulators nitric oxide and carbon monoxide
Keywords: نظریه کاربردی تابعی وابسته به زمان; bpy; 2,2â²-bipyridine; CORM; carbon monoxide releasing moiety; CrONO; trans-CrIII(cyclam)(ONO)2+; CW; continuous wave; cyclam; 1,4,8,11 tetraazacyclotetradecane; DAF-FM DA; 4-amino-5-methylamino-2â²,7â²-difluorofluorescein diacetate; DFT; density funct
Luminescent cyclometalated-pentafluorophenyl PtII, PtIV and heteropolynuclear complexes
Keywords: نظریه کاربردی تابعی وابسته به زمان; Br-Hpbt; 2-(4-bromophenyl)benzothiazole; CC; cluster-centered; cyclen; 1,4,7,10-tetraazacyclododecane; Hbzq; 7,8-benzo[h]quinoline; Hdfppy; 2-(2,4-difluorophenyl)pyridine; HE; high energy; HOMO; highest occupied molecular orbital; Hpbt; 2-phenylbenzothiaz
Investigation of gas phase absorption spectral similarity for stable-isotopically labeled compounds in the 125-240Â nm wavelength range
Keywords: نظریه کاربردی تابعی وابسته به زمان; Deuteration; Benzene; Isotopologues; Internal standard; Time-dependent density functional theory; Gas chromatography - vacuum ultraviolet spectroscopy;
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diyl)dibenzoic acid
Keywords: نظریه کاربردی تابعی وابسته به زمان; Binding model; Time-dependent density functional theory; Weak interactions; TNP sensing; Photoinduced electron transfer; Binding energy;
Thiocarbonyl-bound metallonitrosyl complexes with visible-light induced DNA cleavage and promising vasodilation activity
Keywords: نظریه کاربردی تابعی وابسته به زمان; bpy; 2,2-bipyridine; COSY; homonuclear correlation spectroscopy; cPTIO; 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide; HMBC; heteronuclear multiple quantum coherence; HMQC; heteronuclear multibond coherence; L-NAME; N-nitro-l-arginine
Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance
Keywords: نظریه کاربردی تابعی وابسته به زمان; DSSC; dye-sensitized solar cells; LUMO; lowest unoccupied molecular orbital; HOMO; highest occupied molecular orbital; FF; fill factor; VOC; open circuit voltage; JSC; short-circuit photocurrent density; ÎGinj; free energy change of electron injection; Î
Copper(II) complexes of N3O tripodal ligands appended with pyrene and polyamine groups: Anti-proliferative and nuclease activities
Keywords: نظریه کاربردی تابعی وابسته به زمان; Boc; tert-ButylOxyCarbonyl; CT; Charge Transfer; CT DNA; Calf Thymus DeoxyriboNucleic Acid; CV; Cyclic Voltammetry; DFT; Density Functional theory; DMEM; Dulbecco's Modified Eagle's Medium; DMF; N,N-dimethylformamide; DMSO; dimethylsulfoxide; DNA; Deoxyri
Theoretical study of excited-state proton transfer of 2,7-diazaindole·(H2O)2 cluster via hydrogen bonding dynamics
Keywords: نظریه کاربردی تابعی وابسته به زمان; Excited state proton transfer; Hydrogen-bonding; Time-dependent density functional theory; Potential energy curves;
Electronic states of Myricetin. UV-Vis polarization spectroscopy and quantum chemical calculations
Keywords: نظریه کاربردی تابعی وابسته به زمان; Myricetin; UV-Vis polarization spectroscopy; Linear dichroism; Transition moment directions; Time-dependent density functional theory;
A COKOSNUT code for the control of the time-dependent Kohn-Sham model
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Kohn-Sham model; Schrödinger equation; Optimal control theory; Nonlinear conjugate gradient scheme; Operator splitting methods;
Calculated structural and electronic interactions of the nano dye molecule Ru(4, 4â²Â - COOH - 2, 2â²Â - bpy)2(NCS)2(N3) with a iodide/triiodide redox shuttle
Keywords: نظریه کاربردی تابعی وابسته به زمان; Dye sensitized solar cell; N3 dye; IR and phonon spectrum; Time-dependent density functional theory; Liouville-Lanczos approach; Optical absorption spectrum; NEB method;
Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations
Keywords: نظریه کاربردی تابعی وابسته به زمان; Gas phase absorption; Time-dependent density functional theory; Isomeric drugs; Fourier transform ion cyclotron resonance; Bath salts; VUV absorption spectroscopy;
Ferrocene chromophores continue to inspire. Fine-tuning and switching of the second-order nonlinear optical response
Keywords: نظریه کاربردی تابعی وابسته به زمان; A; acceptor; Az+; azulenylium; BINOL; 1,1â²-bi-2-naphthol; BLA; bond length alternation; BODIPY; 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene; CNS; cyanostilbene; Cp; cyclopentadiene; CPCM; Cossi and Barone's conductor like polarisable continuum model; C
Excited state intramolecular proton transfer (ESIPT) of 6-amino-2-(2â²-hydroxyphenyl)benzoxazole in dichloromethane and methanol: A TD-DFT quantum chemical study
Keywords: نظریه کاربردی تابعی وابسته به زمان; Time-dependent density functional theory; Excited-state intramolecular proton transfer; Frontier molecular orbitals; Hydrogen bond; Potential energy curves;
First-principles simulations for excitation of currents in linear carbon chains under femtosecond laser pulse irradiation
Keywords: نظریه کاربردی تابعی وابسته به زمان; Femtosecond laser; Time-dependent density functional theory; Linear carbon chain; Excited current