Keywords: حالت های الکترونیکی هیجان انگیز; Acetamide; Excited electronic states; Conformational analysis;
مقالات ISI حالت های الکترونیکی هیجان انگیز (ترجمه نشده)
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Keywords: حالت های الکترونیکی هیجان انگیز; Formamide; Quantum chemistry; Excited electronic states; Conformational dynamics;
Keywords: حالت های الکترونیکی هیجان انگیز; Cyanocobalamin; Excited electronic states; Ultrafast spectroscopy; Time dependent density functional theory; Ligand-to-metal charge transfer
Keywords: حالت های الکترونیکی هیجان انگیز; Carotenoids; Excited electronic states; Excited energy migration;
Keywords: حالت های الکترونیکی هیجان انگیز; Coupled-cluster theory; Equation-of-motion coupled-cluster methods; Completely renormalized equation-of-motion coupled-cluster approaches; Excited electronic states; Potential energy surfaces; Water dissociation;
Conformational analysis of N-methylacetamide molecule in the ground and excited electronic states
Keywords: حالت های الکترونیکی هیجان انگیز; N-methylacetamide; Excited electronic states; Conformational analysis; Anharmonic vibrational problem; Large amplitude motions;
Conformational analysis of N-methylformamide in ground S0 and excited S1 and T1 electronic states
Keywords: حالت های الکترونیکی هیجان انگیز; N-methylformamide; Excited electronic states; Large-amplitude motions; Non-rigid molecules;
Duo: A general program for calculating spectra of diatomic molecules
Keywords: حالت های الکترونیکی هیجان انگیز; Diatomics; Spectroscopy; One-dimensional Schrödinger equation; Excited electronic states; Intramolecular perturbation; Coupled-channel radial equations; Transition probabilities; Intensities;
Ab initio characterization of the lowest-lying electronic states of the NaAs molecule
Keywords: حالت های الکترونیکی هیجان انگیز; Excited electronic states; Potential energy curves; Spin-orbit interaction; Spectroscopic constants; Transition moments;
Jet-cooled laser-induced fluorescence spectroscopy of ScH: Observation of an Ωâ²=2âΩâ³=1 transition
Keywords: حالت های الکترونیکی هیجان انگیز; Jet cooled spectra of ScH; Laser-induced fluorescence; Excited electronic states;
Correlating ETD fragment ion intensities with peptide ion conformational and electronic structure
Keywords: حالت های الکترونیکی هیجان انگیز; Electron transfer dissociation; Peptide ions; Conformational analysis; Cation-radicals; Excited electronic states
Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions
Keywords: حالت های الکترونیکی هیجان انگیز; Excited electronic states; Open-shell transition metal complexes; Scalar relativistic effects; Symmetry-adapted-cluster configuration-interaction methodology; Equation-of-motion coupled-cluster theory; Active-space methods;
An ab initio study on the ground and low-lying doublet electronic states of linear C2As
Keywords: حالت های الکترونیکی هیجان انگیز; Excited electronic states; Vibronic transitions within the Xâ¼2Î electronic state; Renner-Teller effect; Spin-orbit coupling; C2As;
Structure and conformational dynamics of oxiranecarboxaldehyde in the ground and excited electronic states
Keywords: حالت های الکترونیکی هیجان انگیز; Oxiranecarboxaldehyde; Nonrigid molecules; Conformational dynamics; Excited electronic states; Torsion and inversion transition energies; Large-amplitude motions coupling;
The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation
Keywords: حالت های الکترونیکی هیجان انگیز; Ethylene; Ethene; Photochemistry; Diabatization; Vibronic model; Excited electronic states; Large-amplitude deformations; Curvilinear coordinates; Dynamical symmetry; Complete nuclear-permutation-inversion group;
Structure and dynamics of acrolein in 1,3(Ï,Ï*) excited electronic states: A quantum-chemical study
Keywords: حالت های الکترونیکی هیجان انگیز; Acrolein; Excited electronic states; Conformational dynamics; Internal rotation; Potential energy surface; Molecular vibrational coupling;
A theoretical study of the binding and electronic spectrum of the Mo2 molecule
Keywords: حالت های الکترونیکی هیجان انگیز; Molybdenum dimer; Metal-metal multiple bond; Excited electronic states;
Photodissociation of OBrO through the excited 22Aâ³(12A2) electronic state: Theoretical prediction of the absorption cross-section
Keywords: حالت های الکترونیکی هیجان انگیز; Ab initio calculations; Potential energy surfaces; Excited electronic states; Photodissociation; Wave-packet calculations; Absorption cross-sections;
Electron capture, femtosecond electron transfer and theory: A study of noncovalent crown ether 1,n-diammonium alkane complexes
Keywords: حالت های الکترونیکی هیجان انگیز; Electron capture dissociation; Electron capture-induced dissociation; 18-Crown-6-ether complexes; Diaminoalkane cations; Recombination energies; Excited electronic states
Photodissociation of small carbonaceous molecules of astrophysical interest
Keywords: حالت های الکترونیکی هیجان انگیز; 31.15.Ar; 31.50.Df; 33.15.Fm; 33.20; 33.70.Ca; 33.80.Gj; 95.30.Ky; 98.38.Bn; 98.38.âj; Molecular data; Excited electronic states; Oscillator strengths; Photodissociation; Interstellar molecules;
Assessment of quantum chemical methods and basis sets for excitation energy transfer
Keywords: حالت های الکترونیکی هیجان انگیز; Excitation energy transfer; FRET; Energy transfer; Förster transfer; Excited electronic states; Light harvesting; Solar cells; Benzene;
Low-lying electronic states and spectroscopic properties of InCl and InCl+
Keywords: حالت های الکترونیکی هیجان انگیز; Indium chloride; Configuration interaction; Excited electronic states; Potential energy curves; Spectroscopic constants;
Structure, stability and spectroscopic properties of isomers of C48B6N6 heterofullerene with isolated and sequential BN substitutional patterns
Keywords: حالت های الکترونیکی هیجان انگیز; Fullerenes; Doped fullerenes; Excited electronic states; IR and Raman spectra; Density functional theory; Semiconductors;
DFT calculation and Raman excitation profile studies of benzophenone molecule
Keywords: حالت های الکترونیکی هیجان انگیز; Vibrational spectra; Raman excitation profile; Sum over states method; Excited electronic states; Molecular configuration; Quantum chemical calculation
Third-order generalized Van Vleck perturbation theory study of the ground and lowest excited states of C2
Keywords: حالت های الکترونیکی هیجان انگیز; Multireference perturbation theory; Electronic structure theory; Potential energy curves; Excited electronic states; C2;
The low-lying electronic states of the MgAl molecule
Keywords: حالت های الکترونیکی هیجان انگیز; MgAl molecule; Spectroscopic constants; Excited electronic states; Transition probabilities;
The lowest singlet, triplet, and quintuplet electronic states of SiC
Keywords: حالت های الکترونیکی هیجان انگیز; Silicon carbide; Excited electronic states; Spectroscopic properties; Multireference configuration interaction;