Keywords: انرژی هیجان انگیز; Isotope separation in flight; Spatial isomer separation; Multiple-reflection time-of-flight mass spectrometer; Isomer; Isomeric beam; Excitation energy; Isomeric ratio; 211Po ions
مقالات ISI انرژی هیجان انگیز (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Keywords: انرژی هیجان انگیز; Ionization potential; Electric field; Polyaromatic molecules; Excitation energy; Insulating liquids;
Keywords: انرژی هیجان انگیز; Silicon quantum dots; Silicon nitride; Excitation energy; Photoluminescence;
Keywords: انرژی هیجان انگیز; Mechanochemistry; Optomechanics; Absorption tuning; Excitation energy;
Keywords: انرژی هیجان انگیز; Prompt gamma-rays; Isomers; De-excitation; Total angular momenta; Parity; Excitation energy
On excited particle formation in crossed ÐÃÐ fields
Keywords: انرژی هیجان انگیز; Optical emission spectrometry; Magnetron discharge; Plasma emission spectrum; Excitation energy; Excited particles; Ion-photon emission;
The stability, kinetics and inter-fragment electron communication of the tautomers of twelve selected β-diketone molecules: A computational study
Keywords: انرژی هیجان انگیز; Resonance; Non-Lewis; Kinetics; Thermodynamic; Stability; Excitation energy;
Ultraviolet fluorescence of coelenteramide and coelenteramide-containing fluorescent proteins. Experimental and theoretical study
Keywords: انرژی هیجان انگیز; Coelenteramide; Fluorescent protein; Discharged photoproteins; Obelin; Aequorin; Fluorescence; Excitation energy; B3LYP;
A study on the conformational space of the all-trans retinal deprotonated Schiff base
Keywords: انرژی هیجان انگیز; Retinal; Conformers; Spectral properties; Relative energies; Excitation energy;
Ground and excited states of neutral and cationic thieno[3,2-b]thiophene: A DFT study
Keywords: انرژی هیجان انگیز; Density functional theory; TD-DFT; Excitation energy; Aromaticity; NICS; HOMA;
A DFT study on reactivity, aromaticity and absorption spectra of perylo[1,12-b,c,d] thiophene tetraester doped with B, N, O, Se and BN
Keywords: انرژی هیجان انگیز; Reactivity; Absorption spectra; Thiophene tetraester; Excitation energy; Aromaticity; NICS;
Thermal quantities of 46Ti
Keywords: انرژی هیجان انگیز; Heat capacity; Excitation energy; BCS model; Pairing gap; Canonical ensemble
Photo-induced proton transfer in fluorene- and carbazole-based compounds as red- and orange-light-emitting molecules: A TD-DFT study
Keywords: انرژی هیجان انگیز; IPO; PIO; ESIPT; PBE0; Excitation energy; Stokes shift; Red light
On the ground and excited state of glycine–glutaric acid: A new organic material
Keywords: انرژی هیجان انگیز; Glycine–glutaric acid molecule; Crystal growth; Excitation energy; Calculated IR spectrum; Vibrational analysis; Optical properties
A corrected-linear response formalism for the calculation of electronic excitation energies of solvated molecules with the CCSD-PCM method
Keywords: انرژی هیجان انگیز; CCSD-PCM; Corrected linear response; Excitation energy; Solution;
The excited-states intermolecular potential energy surfaces of the Ar-CS2 van der Waals complex: Ab initio study
Keywords: انرژی هیجان انگیز; EOM-CCSD; Dipole-dipole; Dipole-quadrupole; Excitation energy; Absorption spectrum;
Excited state intramolecular proton transfer (ESIPT) in 2-(2â²-hydroxyphenyl)benzoxazole and its naphthalene-fused analogs: A TD-DFT quantum chemical study
Keywords: انرژی هیجان انگیز; ESIPT; H-bonding; Excitation energy; PBE1PBE; AIM;
TD-DFT study on the charge-transfer excitations of anions possessing double or triple bonds
Keywords: انرژی هیجان انگیز; TD-DFT; Exchange-correlation functionals; Charge-transfer; Anion; Excitation energy; Gas-phase spectrum;
Analysis of multi-fragmentation reactions induced by relativistic heavy ions using the statistical multi-fragmentation model
Keywords: انرژی هیجان انگیز; Statistical multi-fragmentation model; Fragmentation cross-section; Relativistic energy; Heavy ions; Excitation energy; Monte-Carlo simulation
Theoretical and experimental study on the excited states of the X-, α- and β-forms of lithium phthalocyanine
Keywords: انرژی هیجان انگیز; Lithium phthalocyanine; Density functional theory; Time-dependent DFT method; Electronic structure; Excitation energy; Dimer
DFT calculation of core- and valence-shell electron excitation and ionization energies of 2,1,3-benzothiadiazole C6H4SN2, 1,3,2,4-benzodithiadiazine C6H4S2N2, and 1,3,5,2,4-benzotrithiadiazepine C6H4S3N2
Keywords: انرژی هیجان انگیز; C6H4SxNy; Core electron; Valence electron; Ionization energy; Excitation energy; Density functional theory;
Analytical description of the coherent state model for near vibrational and well deformed nuclei
Keywords: انرژی هیجان انگیز; Coherent state model; Rotational band; Phase transition; Critical point; Electric quadrupole transition probability; Excitation energy;
Theoretical study on microhydration of NO3- ion: Structure and polarizability
Keywords: انرژی هیجان انگیز; Microhydration; Preferential solvation; Density functional theory; Polarizability; Excitation energy;
The SAC/SAC-CI studies of ground and low-lying electronic excited states of OClO, OClO+ and OClOâ
Keywords: انرژی هیجان انگیز; Excited state; SAC/SAC-CI; Equilibrium geometry; Excitation energy; Ionization potential; Detachment energy;
Theoretical investigation of the molecular structures and excitation spectra of triphenylamine and its derivatives
Keywords: انرژی هیجان انگیز; Triphenylamine; Density functional theory; Post-Hartree Fock method; Time-dependent DFT method; Molecular structure; Electronic structure; Excitation energy;
Theoretical study on electronic properties of trans-oligomers of thiophenes, siloles and alternate thiophene and siloles
Keywords: انرژی هیجان انگیز; Trans-oligomers of thiophenes and siloles; TDDFT; Excitation energy; HOMO-LUMO energy gaps;
Isoscaling of mass Aâ40 reconstructed quasiprojectiles from collisions in the Fermi energy regime
Keywords: انرژی هیجان انگیز; Nuclear reactions; 112,124Sn(40Ar,X); (40Ca,X); E=45MeV/nucleon; measured; light fragment yields; energy spectra; (fragment)(fragment)-coin using FAUST array; analyzed; isoscaling behavior versus neutron number; excitation energy; including correction for
Ground and low-lying excited states of SO2 studied by the SAC/SAC-CI method
Keywords: انرژی هیجان انگیز; Excited state; SAC/SAC-CI; Equilibrium geometry; Excitation energy;
AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes
Keywords: انرژی هیجان انگیز; Organic dyes; Excitation energy; AM1; PM3; PM5;
Resolving the depth coordinate in photoelectron spectroscopy - Comparison of excitation energy variation vs. angular-resolved XPS for the analysis of a self-assembled monolayer model system
Keywords: انرژی هیجان انگیز; XPS; Depth resolution; Synchrotron XPS; Excitation energy; ARXPS; Self-assembled monolayers;
Electronic states of radical cations of all-trans oligo[methyl(phenyl)silane]
Keywords: انرژی هیجان انگیز; Oligosilane; Radical cation; DFT; Ab initio; Spin density; Excitation energy
Ab initio excitation spectrum of the CO-Ar van der Waals molecule
Keywords: انرژی هیجان انگیز; CCSD(T); Van der Waals; Excitation energy; BSSE; Vibrational frequencies;
Ab initio configuration interaction singles (CIS) study on polycyclic aromatic molecules (I): Correlation between calculated and observed excitation energies
Keywords: انرژی هیجان انگیز; Excitation energy; CIS; PAHs; Geometry optimization; Molecular orbital;
Packing Structures of Thiophene Dimers and Their Effects on Excitation Energies of Thiophene Dimers1
Keywords: انرژی هیجان انگیز; Thiophene dimer; Packing structure; Excitation energy;
Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
Keywords: انرژی هیجان انگیز; 31.15.−p; 31.25.−vPyrene; Substituted pyrenes; Excitation energy; Multireference perturbation theory; Time-dependent density functional theory
Ab initio configuration interaction singles (CIS) study on polycyclic aromatic molecules (II): Predicting fluorescence quantum yields by calculating the excitation energies
Keywords: انرژی هیجان انگیز; Fluorescence; Quantum yield; Excitation energy; CIS; Intersystem crossing;
Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR: A TD-DFT study
Keywords: انرژی هیجان انگیز; PSBR; Residue effects; Excitation energy; TD-DFT calculation; Point charge;
Theoretical study of molecular and photophysical properties of [5, 6]-open C60 derivatives
Keywords: انرژی هیجان انگیز; [5, 6]-open C60 derivative; Excitation energy; Absorption spectrum; Third-order nonlinear optical polarizability;
Structures and excitation energies of ozone-water clusters O3(H2O)n (n = 1-4)
Keywords: انرژی هیجان انگیز; Ozone-water complex; Excitation energy; Hydration structure; Spectral shift;
Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene), investigated by time-dependent density functional theory calculations
Keywords: انرژی هیجان انگیز; Excitation energy; Quantum-chemical calculations; Conductive polymer; Alkoxy derivatives of poly(para-phenylenevinylene);
High light-induced changes of 77 K fluorescence emission of pea thylakoid membranes with altered membrane fluidity
Keywords: انرژی هیجان انگیز; Chl; chlorophyll; CP 43(47); chlorophyll-protein 43 (47); DCMU; 3-(3â²,4â² dichlorophenyl)-1,1â²-dimethylurea; DPH; 1,6-diphenyl-1,3,5-hexatriene; DCIP; 2,6 dichlorophenolindophenol; LHC I (II); light-harvesting complex I (II); MES; 2-[N-Morpholino]eth
A TDDFT study of the low-lying excitation energies of polycyclic cinnolines and their carbocyclic analogues
Keywords: انرژی هیجان انگیز; TDDFT; Polycyclic cinnolines; Excitation energy;
Low energy reactions with radioactive ions at REX-ISOLDE-the 9Li + 2H case
Keywords: انرژی هیجان انگیز; 25.60.-t; 25.45.-z; 27.20.+n; Reaction radioactive; beam 9Li [from Ta(p,x) reaction]; REX-ISOLDE post-accelerator; C3D6 target; measured; outgoing charged particles; DSSSD detector; deduced; reaction channels; excitation energy; dÏdΩ;