Keywords: انرژی واکنش; PuOH; Density functional theory; Crystal structure; Reaction energy;
مقالات ISI انرژی واکنش (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: انرژی واکنش; DOE; Department of Energy; Er; reaction energy; PVD; physical vapor deposition; MOFs; metal-organic frameworks; SSA; specific surface area; SWNTs; single-walled carbon nanotubes; G; graphite; AC; activated carbon; CB; carbon black; BNNTs; Boron nitride
Keywords: انرژی واکنش; First-principle calculation; Electronic structure; Chemical bonding; Phonon dispersion; Reaction energy; Spin-orbit coupling
Keywords: انرژی واکنش; Temozolomide isomers; Reaction energy; Thermodynamic properties; Rate constants; Proton affinity; Chemical reactivity
DFT study on the alternative NH3 formation path and its functional group effect
Keywords: انرژی واکنش; NH3 formation; DFT study; The functional group effect; Activation energy; Reaction energy;
DFT study on the C(N)-NO reaction with isolated and contiguous active sites
Keywords: انرژی واکنش; C(N)-NO reaction; DFT study; Reaction energy; Activation energy;
DFT estimates of water environment impact on the reversible 2eâ + 2H+ oxidation of aniline tetramer
Keywords: انرژی واکنش; Molecular structure; Reaction energy; Reorganization energy; Electrode potentials; Redox; Polarizable Continuum Model (PCM); Polarizable Conductor Calculation Model (CPCM); Polyaniline (PANI); Ionization energy; Electron affinity; Density Functional Theor
Investigation on reaction energy, mechanical behavior and impact insensitivity of W-PTFE-Al composites with different W percentage
Keywords: انرژی واکنش; W-PTFE-Al composites; Reaction energy; Mechanical characterization; Insensitivity; Fracture;
Electronic and thermodynamic properties of α-Pu2O3
Keywords: انرژی واکنش; α-Pu2O3; Phonon dispersion curve; Helmholtz free energy; Reaction energy; First-principles calculation
Effect of electron-withdrawing group on the [3,3]-sigmatropic rearrangements of 1,5-enynes, 1,5-diynes and 1,2-diene-5-ynes: A theoretical study
Keywords: انرژی واکنش; Cope rearrangement; Electronic effect; Theoretical calculation; Activation barrier; Reaction energy;
Studies on the low-heating solid-state reaction method to synthesize LiNi1/3Co1/3Mn1/3O2 cathode materials
Keywords: انرژی واکنش; Low-heating solid-state reaction; LiNi1/3Co1/3Mn1/3O2; Reaction energy; Cathode material; Lithium ion batteries
Simulated vibrational spectra of aflatoxins and their demethylated products and the estimation of the energies of the demethylation reactions
Keywords: انرژی واکنش; Aflatoxin; Demethylation; Formaldehyde; Quantum chemistry; Methanol; Optimized structure; Reaction energy; Vibrational spectra