Keywords: عملکرد انرژی بالقوه; Beryllium monohydride; Potential energy function; Reduced potential; Homotopic morphing;
مقالات ISI عملکرد انرژی بالقوه (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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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: عملکرد انرژی بالقوه; Liquid metals; Molecular dynamics simulation; Potential energy function; Sodium
High-level theoretical rovibrational spectroscopy of HCS+ isotopologues
Keywords: عملکرد انرژی بالقوه; Thioformyl cation; Potential energy function; Rovibrational states; Fermi resonance; Electric dipole moment function; Band intensity;
CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
Keywords: عملکرد انرژی بالقوه; Molecular dynamics; Empirical force field; Potential energy function; Molecular Mechanics; Computer-aided drug design; Biophysics;
Fletcher–Reeves based Particle Swarm Optimization for prediction of molecular structure
Keywords: عملکرد انرژی بالقوه; Genetic algorithm; Global minimum; Molecular conformations; Potential energy function; Particle Swarm Optimization
New inversion and ab initio intermolecular potentials for supercritical fluorine: Calculation of some properties and MD simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Inversion method; Ab initio computation; Molecular dynamics simulation; Quantum correction; Three-body interaction
Rovibrational states of HBF+ isotopologues: Theory and experiment
Keywords: عملکرد انرژی بالقوه; HBF+; Coupled-cluster theory; Potential energy function; Rovibrational transitions; Line intensities; Difference-frequency laser spectroscopy;
Microwave, infrared, and Raman spectra, r0 structural parameters, conformational stability and ab initio calculations of cyclohexylisocyanate
Keywords: عملکرد انرژی بالقوه; Xenon solutions; Cyclohexane; Isocyanate; Potential energy function; Temperature dependent infrared;
Direct-potential-fit analysis for the A3Π1u-X1Σg+ system of Br2
Keywords: عملکرد انرژی بالقوه; Diatomic halogen; Br2; Potential energy function; Titanium sapphire laser; Electronic isotope shift;
Some thermodynamics and transport properties and new equation of state for fluid hydrogen using a new intermolecular potential
Keywords: عملکرد انرژی بالقوه; Potential energy function; Molecular dynamics simulation; Quantum correction; Three-body interaction;
Some thermodynamic properties of fluids SF6, SF6–Ar, and SF6–Kr using new HFD-like potentials including three-body interactions: The inversion method and molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Transport properties; Three body interaction; Molecular dynamics simulation
A theoretical study of the accurate analytic potential energy curve and spectroscopic properties for AlF (X1Σ+)
Keywords: عملکرد انرژی بالقوه; Potential energy function; Dissociation energy; Spectroscopic constants; CCSD(T); AlF;
Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid methane using two-body and three-body intermolecular potentials from molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Three-body interactions; Molecular dynamics simulation; Equation of state;
Transport, thermodynamic, and structural properties of fluid ammonia using a new intermolecular potential: The inversion method and molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Three body interactions; Molecular dynamics simulation; Collision integrals; Second virial coefficient; Viscosity; Thermal conductivity; Self-diffusion coefficient; Radial distribution function;
Computation of some thermodynamic, structural, and transport properties of fluid oxygen using two-body and three-body intermolecular potentials from molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Three-body interactions; Molecular dynamics simulation; Equation of state; Radial distribution function; Self-diffusion coefficient;
Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Molecular dynamics simulation; Quantum corrections; Three-body interactions
Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation
Keywords: عملکرد انرژی بالقوه; Potential energy function; Molecular dynamics simulation; Collision integrals; Second virial coefficient; Self-diffusion coefficient; Viscosity; Thermal conductivity; Thermal diffusion factor; Equation of state;
A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2
Keywords: عملکرد انرژی بالقوه; Ab initio; Thermochemistry; HSS; Thiosulfeno radical; Potential energy function; Dipole moment function; Infrared spectrum; Electronic spectrum;
The ring-puckering potential energy function and theoretical calculations for silacyclopent-2-ene-d0 and 1,1-d2 and the difluoro and dichloro derivatives
Keywords: عملکرد انرژی بالقوه; Silacyclopent-2-ene; Ring-puckering; Far-infrared spectra; Potential energy function; Ab initio and DFT calculations;
Determination of potential energy functions and calculation transport properties of oxygen and nitric oxide via the inversion of reduced viscosity collision integrals at zero pressure
Keywords: عملکرد انرژی بالقوه; Collision integral; Inversion method; Potential energy function; Self-diffusion coefficient; Thermal conductivity; Viscosity; Second virial coefficient;
Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their transport properties
Keywords: عملکرد انرژی بالقوه; Collision integral; Inversion method; Potential energy function; Self-diffusion coefficient; Thermal conductivity; Viscosity; Second virial coefficient;
Compression limit for iron based on seismological data
Keywords: عملکرد انرژی بالقوه; 62.20; 64.10; 64.30; HCP iron; Potential energy function; Compression limit;