Keywords: درست نیروی; molecular modeling; molecular dynamics; Monte Carlo; stochasticity; force field; thermodynamics/statistical mechanics; materials science;
مقالات ISI درست نیروی (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: درست نیروی; BNNT; Boron Nitride Nanotube; Force field; Molecular mechanics; Bond potential energy; Piezoelectric beam;
Keywords: درست نیروی; MD simulation; Aggregation; Silicic acid monomer; Lennard-Jones potential; Force field;
Keywords: درست نیروی; Density functional theory; Molecular dynamics; Force field; CLAYFF; LDH;
Keywords: درست نیروی; Dieldrin; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Keywords: درست نیروی; Carquejiphenol; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Keywords: درست نیروی; CMC; corticomuscular coherence; ECR; extensor carpi radialis longus muscle; EEG; electroencephalogram; EMG; electromyogram; FCR; flexor carpi radialis longus muscle; M1; primary motor cortex; SM1; primary sensorimotor cortex; Sensorimotor binding; Long la
Keywords: درست نیروی; amorphous; solid dispersion; solid solutions; thermodynamics; kinetics; in silico modeling; molecular dynamics; molecular modeling; QSPR; physical stability; API; active pharmaceutical ingredient; ASD; amorphous solid dispersion; DFT; density functional t
Keywords: درست نیروی; molecular dynamics; force field; in silico modeling; dehydration; crystallography; hydrate;
Keywords: درست نیروی; Raman spectroscopy; Force field; Carbon nanotubes; Graphene;
Keywords: درست نیروی; Force field; Docking; Quantum chemistry; MMFF94; CHARMM; PM7; PM6; Supercomputer;
The role of metal substitution in the promiscuity of natural and artificial carbonic anhydrases
Keywords: درست نیروی; B3LYP; Becke 3 parameter Lee - Yang - Parr functional; CA; carbonic anhydrase; CHARMM; Chemistry at HARvard Molecular Mechanics; DFT; density functional theory; FF; force field; MD; Molecular Dynamics; NAMD; Nanoscale Molecular Dynamics; NBO; Natural
Keywords: درست نیروی; Ionic liquids; Water solubility; Monte Carlo; Force field; Absorption; Gibbs ensemble;
Keywords: درست نیروی; Van der Waals; SAPT; Energy decomposition; Force field;
Keywords: درست نیروی; Lipid bilayer; Liquid-crystalline phase; Experimental model; Force field; Molecular simulation; Model validation;
Keywords: درست نیروی; AMA; amantadine; BFM; bond fluctuation method; BST-2; bone marrow stromal cell antigen 2; CD; circular dichroism; CGMD; coarse-grained molecular dynamics; ClyA; cytolysin A; DHPC; dihexanoylphosphocholine; DPC; dodecylphosphocholine; E. coli; Escherichia
Keywords: درست نیروی; Tricyclic bisguanidine; Vibrational spectra; Molecular structure; Force field; DFT calculations
Keywords: درست نیروی; Electroencephalography (EEG); Consolidation; Explicit memory; Force field; Sensorimotor learning; Reaching movement;
Keywords: درست نیروی; Molecular dynamics; Force field; Electronic coarse graining; Dispersion; Polarisation; Path integral;
Keywords: درست نیروی; Cyclopropane; Cyclobutane; Cyclopentane; Cyclohexane; Vapor–liquid equilibria; Transport properties; Molecular simulation; Force field
Keywords: درست نیروی; Isothiazole derivatives; Vibrational spectra; Molecular structure; Force field; DFT calculations
Keywords: درست نیروی; AA; all-atom; AD; Alzheimer's disease; AFM; atomic force microscopy; BK channels; big potassium channels or large conductance, Ca2+- and voltage-gated K+ channels; CCM; cholesterol consensus motif; CG; coarse-grained; CRAC; cholesterol recognition/interac
Keywords: درست نیروی; Force field; Visualization; Hydrocarbon; AMBER; High-resolution displays;
Keywords: درست نیروی; 6-Nitro-1,3-benzothiazole-2(3H)-thione; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Keywords: درست نیروی; Ladderane; Phospholipid bilayer; Molecular dynamics simulation; Force field; Anammox bacteria; Lateral pressure profile
Keywords: درست نیروی; ZIF-8; Silicalite; Force matching; Force field; AIMD;
Keywords: درست نیروی; tDCS; Adaptation; Reaching; Consolidation; Retention; Generalization; Force field; Motor control;
Keywords: درست نیروی; Sucralose; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Structural and spectroscopic differences among the potassium 5-hydroxypentanoyltrifluoroborate salt and the furoyl and isonicotinoyl salts
Keywords: درست نیروی; Potassium 5-hydroxypentanoyltrifluoroborate salt; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Role of repulsive forces on self-assembly behavior of amyloid β-peptide (1-40): Molecular dynamics simulation approach
Keywords: درست نیروی; Self-assembly; Alzheimer's disease; Force field; Hydrophobic forces;
FT-IR, FT-Raman, UV-Vis, NMR and structural studies of carquejyl acetate, a distinctive component of the essential oil from Baccharis trimera (less.) DC. (Asteraceae)
Keywords: درست نیروی; Carquejyl acetate; Baccharis trimera; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Individualized force fields for alkanes, olefins, ethers and ketones based on the transferable anisotropic Mie potential
Keywords: درست نیروی; Force field; Transferable; TAMie; Phase equilibria; Monte Carlo; GCMC;
FT-IR, FT-Raman and UV-visible spectra of potassium 3-furoyltrifluoroborate salt
Keywords: درست نیروی; Potassium 3-furoyltrifluoroborate salt; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Structural and vibrational characterization of anhydrous and dihydrated species of trehalose based on the FTIR and FTRaman spectra and DFT calculations
Keywords: درست نیروی; Trehalose; Molecular structure; Vibrational spectra; DFT calculations; Force field;
Experimental and theoretical vibrational study of N-carbamoyl-L-proline
Keywords: درست نیروی; N-Carbamoyl-L-proline; Molecular structure; Vibrational spectra; Force field; DFT calculation;
Evaluating structures, properties and vibrational and electronic spectra of the potassium 2-isonicotinoyltrifluoroborate salt
Keywords: درست نیروی; Potassium 2-isonicotinoyltrifluorborate salt; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Synthesis and characterization of p-xylylenediaminium bis(nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties
Keywords: درست نیروی; p-Xylylenediaminium bis(nitrate); Vibrational spectra; Molecular structure; Force field; DFT calculations;
A study of adatom ripening on an Al (1Â 1Â 1) surface with machine learning force fields
Keywords: درست نیروی; Molecular dynamics; Machine learning; Force field; Island ripening; Surface growth;
Force field for realistic molecular dynamics simulations of TiO2 growth
Keywords: درست نیروی; TiO2; Empirical potential; Force field; Molecular dynamics; Film growth; Crystal growth;
Blends of poly(3-alkylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester for organic photovoltaic cell applications: Multi-scale modeling approach
Keywords: درست نیروی; Photovoltaic; Density functional theory; Molecular dynamics simulation; Force field; Coarse-grained model;
Analysis of the structure and the FT-IR and Raman spectra of 2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one. Comparisons with the chlorinated and methylated derivatives
Keywords: درست نیروی; Benzoxazin derivatives; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Structural and vibrational characterization of sugar arabinitol structures employing micro-Raman spectra and DFT calculations
Keywords: درست نیروی; Arabitol; Molecular structure; Vibrational spectra; DFT calculations; Force field;
A structural and spectroscopic study on carquejol, a relevant constituent of the medicinal plant Baccharis trimera (Less.) DC. (Asteraceae)
Keywords: درست نیروی; Carquejol; Baccharis trimera; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Improved treatment of nucleosides and nucleotides in the OPLS-AA force field
Keywords: درست نیروی; Molecular dynamics; Nucleoside; Nucleotide; Force field;
Structural properties and FTIR-Raman spectra of the anti-hypertensive clonidine hydrochloride agent and their dimeric species
Keywords: درست نیروی; Clonidine hydrochloride; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Development of efficient docking strategies and structure-activity relationship study of the c-Met type II inhibitors
Keywords: درست نیروی; c-Met; Docking; Binding affinity; Conformation; Force field; Computational screening;
FTIR, FTRaman, UV-Visible and NMR spectroscopic studies on 3,3â²,4,4â²-tetrachloroazoxybenzene, an azoxybenzene derivative with toxic effects
Keywords: درست نیروی; 3,3â²,4,4â²-Tetrachloroazoxybenzene; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Evaluation of the structural, electronic, topological and vibrational properties of N-(3,4-dimethoxybenzyl)-hexadecanamide isolated from Maca (Lepidium meyenii) using different spectroscopic techniques
Keywords: درست نیروی; N-(3,4-dimethoxybenzyl)-hexadecanamide; Vibrational spectra; Molecular structure; Force field; DFT calculations;
Force field for realistic molecular dynamics simulations of ZrO2 growth
Keywords: درست نیروی; ZrO2; Empirical potential; Force field; Molecular dynamics; Film growth; Crystal growth;
Investigating polarization effects of CO2 adsorption in MgMOF-74
Keywords: درست نیروی; Polarization; Force field; Carbon capture; MgMOF-74; Monte Carlo simulation;