Keywords: زمینه های نیرو; Molecular simulation; Aqueous electrolytes; Force fields; Polarizable force fields; Charge scaling; Coarse grained models; Osmotic ensemble; Solubility; Statistical analysis;
مقالات ISI زمینه های نیرو (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: زمینه های نیرو; Molecular dynamics; Static dielectric constant; Force fields; Virtual sites; Pyridine; Aqueous solution; Organic liquids; Charge fitting;
Keywords: زمینه های نیرو; Partial charges; Molecular dynamics simulations; Chloride ionic liquids; Force fields;
Keywords: زمینه های نیرو; Portland cement phases; Molecular dynamics; Mechanical properties; Simulation; Force fields
Keywords: زمینه های نیرو; Spatial knowledge; Spatial relationships; Pattern recognition; Computer vision; Image segmentation; Directional maps; Force fields
Keywords: زمینه های نیرو; Ring puckering; Rare events; Carbohydrate conformation; Force fields
Keywords: زمینه های نیرو; MD simulations; Force fields; Potentials; Crystalline silica; Phase transition; Computation time;
Keywords: زمینه های نیرو; Streptococcus pneumoniae; Vaccine; Pneumococcal; Force fields; Molecular modelling
Keywords: زمینه های نیرو; Molecular mechanics; Force fields; Scanning Tunneling Microscopy; Methionine; Graphene; Amino acid;
Keywords: زمینه های نیرو; Coarse-graining; Force fields; Parameterisation; Membrane simulations; Martini; Elba
Systematic comparison of force fields for molecular dynamic simulation of Au(111)/Ionic liquid interfaces
Keywords: زمینه های نیرو; Au(111)/ionic liquid interface; Force fields; Ion adsorption; Differential capacitance; Molecular dynamics;
An atomistic model of MgSiO3 perovskite and post-perovskite phases
Keywords: زمینه های نیرو; MgSiO3 phases; Force fields; Molecular dynamics; Materials at extreme conditions;
Error assessment in molecular dynamics trajectories using computed NMR chemical shifts
Keywords: زمینه های نیرو; Molecular dynamics; Chemical shift; Peptide bonds; Force fields;
Force Field Development for Lipid Membrane Simulations
Keywords: زمینه های نیرو; Lipid bilayers; Biomembranes; Force fields; Molecular dynamics;
Improved SPC force field of water based on the dielectric constant: SPC/ε
Keywords: زمینه های نیرو; SPC; Dielectric constant; Water; Force fields;
Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging
Keywords: زمینه های نیرو; Multipole moments; Hydrogen bonding; Force fields; QTAIM; QCT; Kriging
MonteGrappa: An iterative Monte Carlo program to optimize biomolecular potentials in simplified models
Keywords: زمینه های نیرو; Monte Carlo methods; Force fields; Coarse-grained models
On the generation of vorticity by force fields in rotor- and actuator flows
Keywords: زمینه های نیرو; Vorticity generation; Conservation; Rotor aerodynamics; Force fields
Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields
Keywords: زمینه های نیرو; Self-diffusion; Molecular dynamics simulations; N-alkanes; Force fields;
Developing community codes for materials modeling
Keywords: زمینه های نیرو; Materials modeling; Open source software; Molecular dynamics; Lattice dynamics; Force fields
Considerations for choosing and using force fields and interatomic potentials in materials science and engineering
Keywords: زمینه های نیرو; Force fields; Interatomic potentials; Molecular simulation; Atomistic simulation
Developing force fields from the microscopic structure of solutions
Keywords: زمینه های نیرو; KB theory; Molecular simulation; Force fields; KBFF; Alcohols
Infrared and Raman spectra of trimethoxyborane isotopomers and quantum-chemical studies of structure and force field
Keywords: زمینه های نیرو; Trimethoxyborane; Vibrational spectra; Isotopomers; QC studies; Structure; Force fields;
Everyday political practices, democracy and the environment in a native village in Mexico City
Keywords: زمینه های نیرو; Environment; Deforestation; Democracy; Force fields; Irregular settlements; Everyday practices
Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations
Keywords: زمینه های نیرو; 31.15.âp; 61.20.Ja; Molecular dynamics; Ewald sum; Force fields;
A molecular dynamics study for the isomerization of Ar solvated (benzene)2-K+ heteroclusters
Keywords: زمینه های نیرو; 31.15.Qg; 34.20.Gj; 36.40.âc; Molecular dynamics; Force fields; Benzene clusters;
Coordination numbers of alkali metal ions in aqueous solutions
Keywords: زمینه های نیرو; Hydration numbers; Molecular dynamics; Quasi-chemical theory; Force fields; Ab initio; Alkali metal ions;
One-to-one reactant–modifier interactions in enantio- and diastereoselective hydrogenation of chiral α-hydroxyketones on Pt(111)
Keywords: زمینه های نیرو; Enantioselective hydrogenation; α-Hydroxyketone; DFT; Force fields; Molecular mechanics
Analysis and prediction of loop segments in protein structures
Keywords: زمینه های نیرو; Loop prediction; Structure prediction; Protein folding; Force fields; Deterministic global optimization;
Development of a 4-node finite element for the computation of nano-structured materials
Keywords: زمینه های نیرو; 02.70.Dh; 31.15.âp; 31.15.Qg; 61.46.+w; Nanoscale materials; Force fields; Consistent linearization; Finite element method; 4-Node element; Carbon nanotube; Material softening;