Theoretical research of the obtained isomer in the synthesis of new Pyrazolones derivative

modelling BY MEANS OF DFT METHOD THE reaction synthesis OF pyrimidins

A DFT investigation on molecular structure of thiosemicarbazone complex with Ni (II). Comparison with crystallographic structure

Investigations of electronic structure and mechanism for conductivity in intrinsically conducting polymers

First Principal Calculations of NaMgH3 and the effect of Li substitution on Hydrogen storage properties

First principle investigation of semiconductor alloys InGa2Sb4, InAl2As4 and InGa2As4 into the chalcopyrite ordered structure

INFLUENCE OF CH3 AND NO2 ON DINITROMESITHYLENE: A DFT STUDY

Effect of transition metal Zr and Ti on bulk and Sigma5 (310) [001] grain boundary in DO3 Fe3Al intermetallic compound

Ab initio calculation of spontaneous polarization in the Bi4Ti3O12 ferroelectric material

Theoretical study using DFT calculation of the trichlorotitanyl, butadiene(1, 3) with acroleine. Mecanism and substitution

Theoretical study of tetrametallic closo and nido octahedron - type clusters

What about Organics solar cells studies?

Magneto-volume effects in iron and cobalt nitrides: ab-initio approach

DFT investigations of spintronics, shape memory effetc, defect and temperature effects, growth modes and adsorption

Effect of high pressure on structural properties of SnO2

Effect of Pressure on the Elastic and Structural Properties of the PbX (X= S, Se and Te) Compounds

Structural, electronic and thermodynamic properties of SrS1-xTex strontium ternary alloy

Pseudopotential calculations of electronic structure and second order optical susceptibilities of ?-LiIO3

Ab-Initio Study Of Structural And Elastic Properties Of SixGe1-x

Ab initio study of Co doped ZnO diluted magnetic semiconductor and its magnetic properties

Theoretical studies on the condensation reactions of deferent carbanions with arylazides

Magnetism in ultra-thin films of (FeCo) Ge4 compounds

First principles study of the structural properties of the superlattice CrC/MoC

Structure of dibromonitrtoluen obtained from the X-rays diffraction compared to the calculated molecular conformation (DFT)

Electronic structure of Defective transition-metal carbonitrides

The electronic and structural investigations of the Ti3SiC2 by first-principal method

Ab initio study of structural properties of FeAl system

Vibrational Versus Electronic Isotropic Polarizability and First Hyperpolarizability of a Series of cis - Ru (II) - bipyridine Complexes: Non-Empirical Investigation

First principles calculations of TbO2 bulk

Computational investigation of silica polymorphs

Ab initio study of the structural, electronic and elastic properties of some B2 intermetallic compounds

Theoretical Study of adsorption of hydrures On delocalized heterocyclic systems

Ab initio calculation of structural and lattice-dynamical properties of GeSn and SiSn compounds.

Hyperfine parameters of Sb doped SnO2: a first principles study

Electronic structure of the layered ceramic Ti3SiC2 and Ti3GeC2

First-principles study of stability and electronic properties in ZnxCd1-xO alloys

DFT study of the electronic properties of isopolyoxometalate

MULTIFRACTALITY OF THE SUBMINIBAND IN FIBONACCI InXGa1?XAs/GaAs SUPERLATTICES

THE TEMPERATURE EFFECT ON TRANSPORT OF ELECTRONS IN THE ALLOY AlxGa1-xN BY THE METHOD OF MONTE CARLO

Molecular modiling studies of N-sulfamoyloxazolidinone / cyclodextrin inclusion complex

High temperature effect on current in a 6H-SiC DMOSFET transistor by the Drift-Diffusion Model

A Conservative Finite Volume Method for the Numerical Solution of Plasma Fluid Equations

An accurate analytical drain current model based on particle swarm computation for nanoscale DG MOSFETs

An analytical electron mobility model based on particle swarm computation for Silicon-based devices

MOLECULAR MODELING STUDY OF ?-CYCLODEXTRIN COMPLEXES WITH DOPAMINE AND ASCORBIC ACID

Structures of L-lysine: effects of water on zwitterionic stability

Monte Carlo Simulation of Low Energy Ion Implantation In Single Crystal Silicon

Collisionless transport theory in semiconductors

Computational Evaluation of Electrical Fiber Composite Conductivity

Study of structural properties of SiO2 glass by molecular dynamics

Theoretical study of the condensation reaction of arylazides with cabanions generates from diethyl2-acetylglutarate

Atomistic investigation of the hydrogenated silicon surface

Atomistic simulations of structural and elastic properties of vacancies, boron and carbon additions in B2-FeAl intermetallic

Theoretical study of bioactive molecule

MAGNONIC VIBRATION SPECTRA OF SOLITON BOUNDARIES AT 2D HEXAGONAL MESOSCOPIC STRUCTURE

Theoretical investigations of cholesteryl acetate in the crystalline phase

Optimizing the Mechanical Properties of hardenable 7xxx Aluminum Alloys

Construction of Structural Interactive Database

Designing Superlattices Ultra Hard Coatings: Datamining Approach

Data-Mining the Empirical Pseudopotential Method

THE RELIABILITY OF THE ULTRASONIC MATERIAL CHARACTERIZATION BY THE ARTIFICIAL NEURAL NETWORK

THE ULTRASONIC MULTIRESOLUTION ANALYSIS AND MODELLING FOR MATERIAL CHARACTERISATION

ULTRASHORT LASER PULSES PROPAGATION IN CHALCOGENIDE FIBER: LINEAR REGIME

G-A Optimization of Fuzzy Penalty for Image Reconstruction from Projections In X-Ray Tomography

Current Status of Web-based NIMS Materials Databases-MatNavi

Exploration of WEKA learning software for Data Mining

Study of nanocrystalline FeNi alloys prepared by mechanical alloying

Optical and Nonlinear Optical properties of Sn Doped ZnO Thin Films Obtained By Spray Ultrasonic

Effect of residual stress induced by cold expansion on fatigue crack growth for 2024 Aluminum alloy

Caracterization of thin magnetic film with surface magneto optic kerr effect spectrometer

Structure and phase transformation in HF melted Al-Fe-Ti alloys

Double side pulsed anodisation of silicon for thermal effect microsystems

Backscattering coefficients for low energy electrons and positrons impinging on metallic targets: transport properties

Structural Characterisation of miniemulsion polymerization

Reactivity of 6 X-1,4-benzoxazin-3-one towards ClCH2COOH: a local Hard-soft-acid-base approach

Investigation of Impurities Dielectric Constant in Porous Low-k Films

Synthesis and characterization of MAGNESIUM-doped Bi¬based superconducting materials

Ab-Initio study of Electronique Structure of antiperovskite supraconductor CdCNi3

Dpolymeric monolithic materials: synthesis, properties, and applications

Comparative Study of Photo electrochemical Properties of p-CuInSe2 and n-CuIn3Se5 Bulk Materials

Effect of thermal cycling on hardness of plian carbon steels

Conductive polymers for electrical and electronic applications

Al-Cu thin films interconnect performance

Synthesis of carbon nanotubes on aluminium substrates

Transport of charge in organic materials. Application to diodes

Synthesis and characterization of biodegradable copolymers and their applications in biomedical fields

Study of structural properties of polycrystalline CuInSe2 thin films an CuInSe2 material prepared by a new method “SHS”

Study of the Surface Potential Decay Characteristics in Polyimide Films Charged Negatively by Corona Discharge

Synthesis of chromium oxide mesoporous