Keywords: ثابت های اسپکتروسکوپی; Beryllium antimonide; Ab initio calculations; Electronic structure; Spectroscopic constants; Spin-orbit couplings;
مقالات ISI ثابت های اسپکتروسکوپی (ترجمه نشده)
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Keywords: ثابت های اسپکتروسکوپی; Spectroscopic constants; QTAIM; PEC; Krypton-methanol; van der Waals interaction;
Keywords: ثابت های اسپکتروسکوپی; MgS+; ab initio calculations; Electronic structure; Spin-orbit couplings; Spectroscopic constants;
Keywords: ثابت های اسپکتروسکوپی; ClO; ClO+; ClO−; Equilibrium geometrical parameters; Potential energy curves; Spectroscopic constants; Vibrational energy levels
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Permanent and transition dipole moment; Dipole polarizability; Vibration-rotation calculation;
Keywords: ثابت های اسپکتروسکوپی; 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: ثابت های اسپکتروسکوپی; Carbon dioxide; Isotopologues; Infrared; Line positions; Spectroscopic constants; Venus atmosphere;
Electronic structure with the calculation of the rovibrational, and dipole moments of the electronic states of the NaBr and KBr molecules
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Franck-Condon factor; Rovibrational calculation;
Ab inito study on the electronic structure and laser cooling of SiH
Keywords: ثابت های اسپکتروسکوپی; Spectroscopic constants; Franck-Condon factors; Radiative lifetimes; Laser cooling;
Accurate ab initio calculations of spectroscopic constants and properties of BeLi+
Keywords: ثابت های اسپکتروسکوپی; Spectroscopic constants; Molecular properties; Potential energy curves; Dipole moment-; Quadrupole moment- and dipole polarizability curves; Transition dipole moment curves; Vibrational spectroscopy; Lifetime; BeLi+;
Electronic structure of the BaO molecule with dipole moments and ro-vibrational calculations
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Einstein coefficients;
Theoretical studies of Ar-AgX (Xâ¯=â¯F, Cl, Br, I) complexes: Potential energy surfaces, intermolecualr vibrations and microwave spectra
Keywords: ثابت های اسپکتروسکوپی; Ar-AgX complexes; Potential energy surfaces; Intermolecular vibrations; Transition frequencies; Spectroscopic constants;
Theoretical electronic structure of the molecules SrX (Xâ¯=â¯Li, Na, K) toward laser cooling study
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments, Franck-Condon factor, and rovibrational calculation;
Ab initio investigations of the binary complexes Rg-IBr (Rgâ¯=â¯He, Ne, Ar, Kr, Xe)
Keywords: ثابت های اسپکتروسکوپی; Rg-IBr; Potential energy surfaces; Equilibrium parameters; Intermolecular vibrational states; Transition frequencies; Spectroscopic constants;
An ab initio investigation on the low-lying electronic states of NaMg
Keywords: ثابت های اسپکتروسکوپی; NaMg; Ab initio calculations; Electronic structure; Spin-orbit couplings; Spectroscopic constants;
Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion
Keywords: ثابت های اسپکتروسکوپی; Ab initio approach; Semi empirical pseudo-potential; PEC curves; Spectroscopic constants; Dipole moment; Vibrational energy;
Theoretical study of LuH molecule: Potential energy curves, spectroscopic constants and spin-orbit couplings
Keywords: ثابت های اسپکتروسکوپی; SA-CASSCF; ic-MRCI; (2s+1)Î(±) and Ω(±) states; LuH; SO coupling; PEC; Spectroscopic constants; Electric dipole moments;
The low-lying electronic states of MgO
Keywords: ثابت های اسپکتروسکوپی; Electronic transitions; Lifetimes; Spectroscopic constants;
Theoretical investigation of the spectroscopic constants for the ground-state diatomic species Cu2, Ag2, and Au2
Keywords: ثابت های اسپکتروسکوپی; Two-component pseudo-potential; Coupled-cluster theory; Spin-orbit interaction; IB homonuclear dimer; Spectroscopic constants;
Theoretical electronic structure of the NaBe molecule
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Franck-Condon factor; Rovibrational calculation;
Stability, metastability and spectroscopic properties of some low-lying electronic states of C2Hâand N2Hâ
Keywords: ثابت های اسپکتروسکوپی; Potential energy cuts; Metastability; Electron affinity; Spectroscopic constants; MRCI/AV5Z;
Electronic structure calculation of the MgAlk (Alk = K, Rb, Cs) molecules for laser cooling experiments
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Ro-vibrational calculation; Ionicity; Franck-Condon factor;
Electronic structure with rovibrational and dipole moment calculation of the diatomic molecules AsBr and AsI
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Vibration-rotation calculation;
Electronic structure of the polar molecules XF (X: Be, Mg, Ca) with rovibrational and dipole moment calculations
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Rovibrational calculation;
Investigations of the Rg-BrCl (Rg = He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies
Keywords: ثابت های اسپکتروسکوپی; Rg-BrCl; Potential energy surfaces; Equilibrium parameters; Vibrational states; Transition frequencies; Spectroscopic constants;
Extensive ab initio study of the electronic states of BSe radical including spin–orbit coupling
Keywords: ثابت های اسپکتروسکوپی; MRCI; Potential energy curve; Spin-orbit coupling effect (SOC); Spectroscopic constants
Sensitivity to electron-to-proton mass ratio variation from 12C2H2 rovibrational transitions to v1 + v3 and v1 + v2 + v4 + v5 interacting levels
Keywords: ثابت های اسپکتروسکوپی; Electron-to-proton mass ratio constant variation; Spectroscopic constants; Fermi and l-type interactions; Rovibrational spectroscopy; Acetylene frequency standard
Theoretical investigation of the doublet electronic states of Sr35Cl and Sr79Br molecules
Keywords: ثابت های اسپکتروسکوپی; CASSCF/MRCI; Alkaline earth monohalides; Electronic structure; Spectroscopic constants;
Ab initio MRCI + Q calculations on the low-lying excited states of the MgBr radical including spin–orbit coupling
Keywords: ثابت های اسپکتروسکوپی; MgBr; MRCI + Q; Potential energy curves; Spectroscopic constants; Spin–orbit coupling; Transition probability
Electronic structure of the ZnCl molecule with rovibrational and ionicity studies of the ZnX (XÂ =Â F, Cl, Br, I) compounds
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Ionic fraction; Einstein coefficients;
Electronic structure calculation of the KYb molecule with dipole moments, polarizabilities, and ro-vibrational studies
Keywords: ثابت های اسپکتروسکوپی; Electronic structure; Potential energy curves; Spectroscopic constants; Dipole moments; Dipole polarizabilities; Vibration-rotation calculation;
Electronic structure, stability and spectroscopy of low-lying states of NOâ, HNOâ and HONâ molecular anions
Keywords: ثابت های اسپکتروسکوپی; NOâ; HNOâ; HONâ; Spectroscopic constants; Metastability; Ab initio;
Electronic structure with dipole moment calculation of the low-lying electronic states of ZnBr molecule
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments;
Electronic structure with dipole moment calculation of the low-lying electronic states of the molecule ZnI
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments;
Ab initio calculations on potential energy curves and radiative lifetimes for the band systems A2Π–X2Σ+ of magnesium monohalides MgX (X = F, Cl, Br, I)
Keywords: ثابت های اسپکتروسکوپی; MgX; MRCI + Q; Spectroscopic constants; Transition dipole moments; Radiative lifetimes
Ab initio characterization of the lowest-lying electronic states of the NaAs molecule
Keywords: ثابت های اسپکتروسکوپی; Excited electronic states; Potential energy curves; Spin-orbit interaction; Spectroscopic constants; Transition moments;
Rotational analysis of the 0-0 and 1-1 bands of the A1Π-X1Σ+ system of the AlD isotopologue
Keywords: ثابت های اسپکتروسکوپی; AlD molecule; A1Î -X1Σ+ transition; Rotational analysis; Spectroscopic constants;
Ab initio study on the low-lying excited states of gas-phase PH+ cation including spin–orbit coupling
Keywords: ثابت های اسپکتروسکوپی; MRCI+Q; Potential energy curve (PEC); Spectroscopic constants; PH+
Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar-BrCl dimer
Keywords: ثابت های اسپکتروسکوپی; Ar-BrCl; Potential energy surface; Equilibrium parameters; Transition frequencies; Spectroscopic constants;
Theoretical calculation of the low-lying electronic states of the molecule BN
Keywords: ثابت های اسپکتروسکوپی; Ab initio calculation; Spectroscopic constants; Potential energy curves; Electronic structure;
Theoretical study on the ground electronic state of FO+ and FO−
Keywords: ثابت های اسپکتروسکوپی; FO+; FO–; Equilibrium parameters; Potential energy curves; Spectroscopic constants; Vibrational energy levels
A theoretical study on low-lying electronic states and spectroscopic properties of PH
Keywords: ثابت های اسپکتروسکوپی; Potential energy curves; Spectroscopic constants; Spin-orbit coupling; Predissociation; Radiative lifetimes;
Ab initio calculations of the ground and excited states of the YN molecule including spin-orbit effects
Keywords: ثابت های اسپکتروسکوپی; YN molecule; Theoretical spin-orbit calculation; Spectroscopic constants; Franck Condon Factors;
Fourier transform emission spectroscopy of the near infrared transitions of CeS
Keywords: ثابت های اسپکتروسکوپی; CeS; Lanthanide sulfides; Emission spectroscopy; Electronic transition; Rotational analysis; Spectroscopic constants;
Ab-initio potential energy curves of valence and Rydberg electronic states of the PO radical
Keywords: ثابت های اسپکتروسکوپی; Electronic states; Spectroscopic constants; Highly correlated quantum chemistry methods; Potential energy curves; Spin-orbit couplings; Predissociation;
Ab initio calculation on the low-lying excited states of Si2+ cation including spin-orbit coupling
Keywords: ثابت های اسپکتروسکوپی; MRCI(+Q); Spin-orbit coupling effect; Potential energy curve; Spectroscopic constants;
Theoretical study of the spectroscopy and radiative transition properties of NS
Keywords: ثابت های اسپکتروسکوپی; NS molecule; Low-lying electronic states; Spectroscopic constants; Transition properties; Radiative lifetimes;
Ab initio study of the lowest-lying electronic states of the LiAs molecule
Keywords: ثابت های اسپکتروسکوپی; Potential energy curves; Spectroscopic constants; Transition moments; Radiative lifetimes; Spin-orbit interaction;
Electronic structure and rovibrational calculation of the low-lying states of the RbYb molecule
Keywords: ثابت های اسپکتروسکوپی; Abinitio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Vibration-rotation calculation;
Electronic structure with spin orbit calculations of the low-lying electronic states of the molecule YS
Keywords: ثابت های اسپکتروسکوپی; YS molecule; Theoretical spin-orbit calculation; Spectroscopic constants; Potential energy curves; Dipole moment; Rovibrational calculation;