Keywords: انرژی انحلال; Ammonia; Global potential energy surface; Ab initio; Rovibrational levels; Dissociation energy;
مقالات ISI انرژی انحلال (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: انرژی انحلال; Isooctane; Dissociative photoionization; Appearance potential; Dissociation channel; Dissociation energy; Formation enthalpy
Keywords: انرژی انحلال; Quantum rings; Double donors; Turning point; Quantum oscillations; Equilibrium length; Dissociation energy;
Keywords: انرژی انحلال; Vibrational level; Dissociation energy; Algebraic method; Error amplification; Variation;
Keywords: انرژی انحلال; Vibrational energy; Dissociation energy; Algebraic method; Butterfly effect; Deviation amplification;
D2+ Molecular complex in non-uniform height quantum ribbon under crossed electric and magnetic fields
Keywords: انرژی انحلال; Quantum ribbon; Coupled donors; Molecular complex; Aharonov-Bohmoscillations; Non-uniform height; Dissociation energy; Equilibrium distance;
Ytterbium doped silicon clusters YbSin (n = 4-10) and their anions: Structures, thermochemistry, and electron affinities
Keywords: انرژی انحلال; YbSin; Ground-state structure; Electron affinity; Dissociation energy; Hardness;
Study of structures, energies and vibrational frequencies of (O2)n+ (n = 2-5) clusters by GGA and meta-GGA density functional methods
Keywords: انرژی انحلال; Oxygen cluster cations; M05-2X; M06-2X; Dissociation energy; Spin multiplicity; Harmonic vibrational frequency;
Samarium doped silicon clusters SmSin (n = 3-10) and their anions: Structures, thermochemistry, electron affinities, and magnetic moments
Keywords: انرژی انحلال; SmSin; Ground-state structure; Electron affinity; Dissociation energy; Magnetic moment; Hardness;
Essential properties of a D2+ molecular complex confined in ring-like nanostructures under external probes: Magnetic field and hydrostatic pressure
Keywords: انرژی انحلال; Quantum rings; Double ionized donors; Aharonov–Bohm oscillations; Equilibrium length; Dissociation energy
Arsenic clusters Asn (n = 6-16) and their anions: Structures, thermochemistry, and electron affinities
Keywords: انرژی انحلال; Arsenic cluster; Structure; Electron affinity; Dissociation energy;
Quantum chemical investigations on superhalogen properties of MnFn (n = 1.6) nano-complexes and the consequential possibility of formation of new MnFn-Na salt species
Keywords: انرژی انحلال; DFT; Superhalogen; Supersalt; Electron affinity; Dissociation energy;
Hydrogenic molecular transitions in double concentric quantum donuts by changing geometrical parameters
Keywords: انرژی انحلال; Coupled quantum rings; Donors; Molecular transitions; Dissociation energy
Investigation of superhalogen properties of RhFn (n = 1–7) clusters using quantum chemical method
Keywords: انرژی انحلال; Density functional theory; Superhalogen; Electron affinity; Dissociation energy; HOMO–LUMO gap
Molecular structure, electronic property and vibrational spectroscopy of C24–glycine and Gd@C24–glycine complexes
Keywords: انرژی انحلال; C24–glycine; Dissociation energy; HOMO–LUMO gap; VIE and VEA; Vibrational frequency
Benchmark Quantum Monte Carlo calculation of the enthalpy of formation of MgH2
Keywords: انرژی انحلال; Quantum Monte Carlo; Magnesium hydride; Isolated cluster; Dissociation energy
A theoretical study of the accurate analytic potential energy curve and spectroscopic properties for AlF (X1Σ+)
Keywords: انرژی انحلال; Potential energy function; Dissociation energy; Spectroscopic constants; CCSD(T); AlF;
Theoretical study of the stability of small triply charged carbon clusters Cn3+ (n = 3–12)
Keywords: انرژی انحلال; Carbon cluster; Triply charged; Theoretical study; Dissociation energy; Ionization potential
Effect of dissociation energy: Signal to noise ratio on ion formation and sensitivity of analytical method for quantification and confirmation of triazofos in blood samples using gas chromatography-mass spectrometer (GC-MS/MS)
Keywords: انرژی انحلال; GC-MS/MS; Dissociation energy; Triazofos; Blood; S/N ratio;
Spectroscopic parameter and molecular constant investigations on X2Σ+ and A2Πi states of 12C14N, 12C15N, 13C14N and 13C15N species
Keywords: انرژی انحلال; Potential energy curve; Dissociation energy; Spectroscopic parameter; Molecular constant; Vibrational level;
Electronic spectra of the linear magnesium-containing carbon chains MgC2nH (n = 1-5): A CASPT2 study
Keywords: انرژی انحلال; MgC2nH (n = 1-5); CASPT2; Vertical excitation energy; Linear size dependence; Dissociation energy;
Theoretical investigations on the NH+(X2Î ) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions
Keywords: انرژی انحلال; Dissociation energy; Spectroscopic parameter; Vibrational level; Inertial rotation constant; Centrifugal distortion constant;
Theoretical investigations on the HF+(X2Î ) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions
Keywords: انرژی انحلال; Dissociation energy; Spectroscopic parameter; Vibrational level; Inertial rotation constant; Centrifugal distortion constant;
Ab initio potentials for states of XeI, XeIâ and XeI+
Keywords: انرژی انحلال; Xenon; Iodine; Noble gas monohalide; Excimer; Coupled clusters; Multireference; Average coupled-pair functional; Configuration interaction; Spin-orbit coupling; Charge transfer; Relativistic effective core potential; Correlation-consistent basis set; Io
Studies on the full vibrational spectra and molecular dissociation energies for some diatomic electronic states
Keywords: انرژی انحلال; Vibrational energy; Dissociation energy; Algebraic method; Electronic state; Diatomic molecule;
Oxidative damage to DNA: Theoretical determination of ionization potential of deoxyriboguanosine (dG)-deoxyribocytidine (dC) and proton transfer in its cation
Keywords: انرژی انحلال; Guanine-cytosine base pair; 2â²-Deoxyribose; Ionization potential; Dissociation energy; Proton transfer;
Investigations on spectroscopic properties of SiH(X2Î ) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set
Keywords: انرژی انحلال; Dissociation energy; Spectroscopic parameter; Inertial rotation constant; Centrifugal distortion constant; Vibrational level;
Theoretical investigation of PH(X3Σâ) radical: Analytic potential energy function, spectroscopic parameters and vibrational manifolds (J = 0)
Keywords: انرژی انحلال; Dissociation energy; Spectroscopic parameter; Vibrational level; Centrifugal distortion constant; Inertial rotation constant;
Accurate analytic potential energy function and spectroscopic study for CH(X2Î ) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set
Keywords: انرژی انحلال; Dissociation energy; Spectroscopic parameter; Inertial rotation constant; Centrifugal distortion constant; Vibrational level;
Numbers and densities of vibrational states for the system represented by harmonic oscillators with a cutoff
Keywords: انرژی انحلال; Statistical rate theory; Relaxation phenomena; Reactions; Dissociation energy;
Investigation of the D 1Î state of NaK by polarisation labelling spectroscopy
Keywords: انرژی انحلال; Alkali diatomics; NaK; Analytical potential curve; Spin-orbit perturbation; Polarisation spectroscopy; Dissociation energy;
A comparative DFT study of dissociative reduction of tert-butyl iodide - Evaluation of the energy barrier for the internal reorganization in the gas phase
Keywords: انرژی انحلال; Tert-butyl iodide; Dissociation energy; Dissociative reduction; Activation energy; Bond-breaking electron transfer;
DFT and MRCI studies on ground and excited states of CrO2
Keywords: انرژی انحلال; Chromium dioxide molecule; Ground state; Excited states in C2v and Cs symmetry; Peroxo and superoxo states; Density functional methods; Multireference configuration interaction methods; Electron affinities; Photoelectron spectrum; Ionization potential; Di
Dissociative photoionization of ClN3 using high-resolution synchrotron radiation: The N–Cl bond energy in ClN3
Keywords: انرژی انحلال; Photoionization mass spectrometry; Chlorine azide; Synchrotron radiation; Dissociation energy; Appearance potential
Estimation of dissociation energy of NiC molecule
Keywords: انرژی انحلال; Potential-energy curve; Dissociation energy; Lippincott potential function;
Sub-millimeter spectroscopy of BaS (X1Σ+)
Keywords: انرژی انحلال; Rotational spectra; Diatomics; Sub-mm/THz; Rotational parameters; Bond lengths; Dissociation energy;
Delayed neutral-atom evaporation of photoexcited anionic gold clusters
Keywords: انرژی انحلال; Penning trap; Metal cluster anions; Time-resolved photodissociation; Dissociation energy;
Ionization potentials and dissociation energies of neutral, singly and doubly charged Cn fullerenes from n = 20 to 70
Keywords: انرژی انحلال; 36.40.Qv; Fullerenes; Dissociation energy; Ionization potential; DFT calculations;
Effect of dissociation energy on ion formation and sensitivity of an analytical method for determination of chlorpyrifos in human blood, using gas chromatography–mass spectrometer (GC–MS in MS/MS)
Keywords: انرژی انحلال; GC–MS/MS; Chlorpyrifos; Dissociation energy; Human blood
Ab-initio study of OCCS, OCCS+ and related species
Keywords: انرژی انحلال; Ab initio; Singlet-triplet splitting; Ionisation potential; Dissociation energy;