Keywords: تعاملات ون دو واسن; Water; Fluorinated graphene; Adsorption; First-principles calculations; Van der waals interactions;
مقالات ISI تعاملات ون دو واسن (ترجمه نشده)
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Keywords: تعاملات ون دو واسن; Li-decorated graphene; First-principles; Average binding energy; Hydrogen bonds; Van der Waals interactions;
Keywords: تعاملات ون دو واسن; Alkyl chain; Retention times; Molecular mechanics; Van der waals interactions;
Keywords: تعاملات ون دو واسن; Van der Waals interactions; Water dielectric spectra; Nanobubbles; Dissolved gases; Hamaker constant; Lifshitz theory; DLVO theory; Foam films;
Environment sensitive fluorescent analogue of biologically active oxazoles differentially recognizes human serum albumin and bovine serum albumin: Photophysical and molecular modeling studies
Keywords: تعاملات ون دو واسن; Fluorophore; Association constant; Steric complementarity; Van der Waals interactions; Electrostatic interactions;
Keywords: تعاملات ون دو واسن; Cation-anion binding; Hydrogen bonding; Van der Waals interactions; NCI-RDG surfaces; Electrostatic potential; Frequency shift;
Keywords: تعاملات ون دو واسن; Disorder-order phase transition; van der Waals interactions; Rotational barriers;
Keywords: تعاملات ون دو واسن; Cellulose nanocrystals; Electrostatic interactions; Hydrogen bonds; van der Waals interactions; CNCs surfaces; Functional materials
Keywords: تعاملات ون دو واسن; Cyclic voltammetry; Ferulic esters; Electrografting; Van der Waals interactions; Vertical and adiabatic ionisation potentials; Electrodonating power
Keywords: تعاملات ون دو واسن; Mesoporous silica; Hydrogen uptake; Isosteric heat of adsorption; van der Waals interactions
Keywords: تعاملات ون دو واسن; Lifshitz theory; Van der Waals interactions; DLVO theory; Hamaker coefficient; Optical properties; Frequency dependent dielectric function; Ab initio DFT calculation
Keywords: تعاملات ون دو واسن; Alkane adsorption; Molecular dynamics; Ab-initio; van der Waals interactions; Zeolites;
Unconventional behavior of gas molecules on Fe (1â¯1â¯1)
Keywords: تعاملات ون دو واسن; Gas adsorption; van der Waals interactions; First-principles calculations;
A dispersion-corrected DFT investigation of CH4 adsorption by silver-decorated monolayer graphene in the presence of ambient oxygen molecules
Keywords: تعاملات ون دو واسن; Ag-decorated Graphene; Methane sensor; Ambient oxygen molecule; Density functional theory; Van der Waals interactions;
Thickness-dependent surface energies of few-layered arsenene and antimonene films in α and β phases
Keywords: تعاملات ون دو واسن; Surface energy; Phase; van der Waals interactions; Arsenene; Antimonene;
H2 storage by confinement inside germanium nanotubes
Keywords: تعاملات ون دو واسن; Germanium nanotubes; Boron nitrogen nanotubes; Carbon nanotubes; H-H bond activation; Van der Waals interactions;
Crystallographic, vibrational modes and optical properties data of α-DIPAB crystal
Keywords: تعاملات ون دو واسن; Powder X-ray diffraction; Density functional theory; Van der Waals interactions; Vibrational modes; Bromine deficient samples; GGA approximation; HSE06 hybrid functionals;
The rotational spectrum of CF3ClAr
Keywords: تعاملات ون دو واسن; van der Waals interactions; Rotational spectroscopy; Pulsed jets; Freons;
Comparative study of H2 adsorption on B24N24, Al24N24 and B12Al12N24 clusters
Keywords: تعاملات ون دو واسن; Clusters; Hydrogen storage; BN; AlN; Density functional theory; van der Waals interactions;
The role of vdW interactions in coverage dependent adsorption energies of atomic adsorbates on Pt(111) and Pd(111)
Keywords: تعاملات ون دو واسن; Density functional theory; Late transition metals; Adsorption energies; van der Waals interactions; Coverage dependence;
Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory
Keywords: تعاملات ون دو واسن; Density functional calculations; Adsorption; van der Waals interactions; Platinum;
The effects of intermolecular interactions on the physical properties of organogels in edible oils
Keywords: تعاملات ون دو واسن; Organogel; Edible oils; Monoglycerides of fatty acids; Policosanol; FT-IR; DSC; Van der Waals interactions; Hydrogen bonding; Rheology
Thermodynamics of hydrogen bonding and van der Waals interactions of organic solutes in solutions of imidazolium based ionic liquids: “Structure-property” relationships
Keywords: تعاملات ون دو واسن; Hydrogen bond; van der Waals interactions; Solution calorimetry; Enthalpy of solution; Enthalpy of solvation; Ionic liquid; Solvent scale
Van der Waals density functional theory study for bulk solids with BCC, FCC, and diamond structures
Keywords: تعاملات ون دو واسن; Van der Waals interactions; Density functional theory; Bulk solids; Lattice constant; Bulk modulus; Cohesive energy
Adsorption and oxidation of oxalic acid on anatase TiO2 (0 0 1) surface: A density functional theory study
Keywords: تعاملات ون دو واسن; Anatase (0 0 1) surface; Oxalic acid; Adsorption; Van der Waals interactions; Density functional theory
Effect of cellulose nanocrystals (CNC) on rheological and mechanical properties and crystallization behavior of PLA/CNC nanocomposites
Keywords: تعاملات ون دو واسن; Cellulose nanocrystals (CNC); Rheological percolation, Melt dispersion; Polymer nanocomposites; Nucleating agent; van der Waals interactions;
Periodic, vdW-corrected density functional theory investigation of the effect of Al siting in H-ZSM-5 on chemisorption properties and site-specific acidity
Keywords: تعاملات ون دو واسن; H-ZSM-5; Brønsted acid sites; DFT; Van der Waals interactions
Growth limit of carbon onions – A continuum mechanical study
Keywords: تعاملات ون دو واسن; Carbon nanostructures; Finite element modeling; Shell buckling; van der Waals interactions
Dynamic behavior of tuning fork shear-force structures in a SNOM system
Keywords: تعاملات ون دو واسن; Dynamic behavior; Tuning fork; Shear-force; Scanning near-field optical microscopy; Van der Waals interactions; Viscous resistance
Structures, relative stabilities, and electronic properties of potassium clusters Kn (13 ⩽ n ⩽ 80)
Keywords: تعاملات ون دو واسن; Potassium clusters; Density functional theory; van der Waals interactions; Magic clusters; Global optimization; Basin hopping;
Structure, elastic and dynamical properties of KN3 and RbN3: A van der Waals density functional study
Keywords: تعاملات ون دو واسن; van der Waals interactions; Elastic constants; Vibrational frequencies; Thermodynamic properties
A distinct element method for large scale simulations of carbon nanotube assemblies
Keywords: تعاملات ون دو واسن; Distinct element method; Carbon nanotubes; Van der Waals interactions
Influence of non-bonded interphase on crack driving force in carbon nanotube reinforced polymer
Keywords: تعاملات ون دو واسن; Carbon nanotube; Finite element model; van der Waals interactions; Crack;
Interplay between ion-Ï and Ar/Ï Van der Waals interactions
Keywords: تعاملات ون دو واسن; Ab initio calculations; Cooperativity effects; Noncovalent interactions; Supramolecular chemistry; Van der Waals interactions;
Sintering kinetics and mechanism of vitreous nanoparticles
Keywords: تعاملات ون دو واسن; Nanoparticles; Sintering; Van Der Waals interactions; Viscous flow; Silica
Density-functional theoretical study of fluorination effect on organic/metal interfaces
Keywords: تعاملات ون دو واسن; Density-functional theory; Organic/metal interface; van der Waals interactions; Vacuum level shift; Fluorination; Carrier injection
noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique
Keywords: تعاملات ون دو واسن; Density functional theory; Van der Waals interactions; vdW-DF; Monte-Carlo integration;
Electronic structure calculations on the Ar-C6H12 interaction: Application to the microsolvation of the chair conformer
Keywords: تعاملات ون دو واسن; Cyclohexane; Argon; Van der waals interactions; Electronic structure calculations; Evolutionary algorithms;
Axial buckling of multi-walled carbon nanotubes and nanopeapods
Keywords: تعاملات ون دو واسن; Carbon nanoubtues; Metallofullerenes; Nanopeapods; van der Waals interactions; Buckling; Donnell’s equilibrium equation; Euler–Bernoulli beam theory
Interactions modes and physical properties in transition metal chalcogenolene-based molecular materials
Keywords: تعاملات ون دو واسن; Metal dithiolenes; van der Waals interactions; H-bonding; π–d Interaction; Single-component molecular metals; Multifunctional materials
A single degree of freedom ‘lollipop’ model for carbon nanotube bundle formation
Keywords: تعاملات ون دو واسن; Carbon nanotubes; Adhesion; van der Waals interactions; Mesoscale; Self-assembly
1-D networks formed by metal⋯sulfur van der Walls contacts: Novel tetrazole–thiolato Pd(II) and Pt(II) complexes
Keywords: تعاملات ون دو واسن; Azido; Tetrazole–thiolato; Van der Waals interactions; Palladium: platinum
Interaction energies of dispersion-bound methane dimer from coupled cluster method at complete basis set limit
Keywords: تعاملات ون دو واسن; Methane dimer; van der Waals interactions; Basis set superposition error (BSSE); Dispersion forces; Coupled cluster CCSD (T) method;
On the compressive response of carbon nanotube tangles
Keywords: تعاملات ون دو واسن; 81.05.Rm; 81.05.Tp; 81.07.DeNano-tangles; Van Wyk's model; Carbon nanotubes; Fibre network; Van der Waals interactions
Molecular modelling by DFT of 1,2-diaminoethane adsorbed on the Zn-terminated and O-terminated, anhydrous and hydroxylated ZnO (0001) surface
Keywords: تعاملات ون دو واسن; ZnO; Diaminoethane; Adsorption; DFT; Polar surface; Zn-N bond; van der Waals interactions; Hydrogen bond;
Structure of a polyelectrolyte around an electronically responsive cylinder
Keywords: تعاملات ون دو واسن; Polyelectrolyte; Debye–Hückel equation; Electrostatic interaction; Van der Waals interactions; Optimal wrapping geometry
Impact of superplasticizer concentration and of ultra-fine particles on the rheological behaviour of dense mortar suspensions
Keywords: تعاملات ون دو واسن; Mortar; Shear thickening; Workability; Superplasicizer; Ultra-fine particles; Steric interactions; Van der Waals interactions
Adhesion between a charged particle in an electrolyte solution and a charged substrate: Electrostatic and van der Waals interactions
Keywords: تعاملات ون دو واسن; Debye–Hückel equation; DLVO theory; Electrostatic interaction; Van der Waals interactions; Charged particle; Charged substrate; Equilibrium separation
Site selective micro-patterned rutile TiO2 film through a seed layer deposition
Keywords: تعاملات ون دو واسن; Seed layer; Rutile TiO2; Electrostatic interaction; Van der Waals interactions; Heterogeneous nucleation
Instability of a two-layer thin liquid film with surfactants: Dewetting waves
Keywords: تعاملات ون دو واسن; Thin liquid films; Van der Waals interactions; Dewetting; Insoluble and soluble surfactants; Dewetting waves