Search
Search Results
-
An improved parameterization procedure for NDDO-descendant semi-empirical methods
ConceptMNDO-based semi-empirical methods in quantum chemistry have found widespread application in the modelling of large and complex systems. A...
-
Combination of Variational and Empirical Methods to Determine the Porosity during the Deposition of Spherical Particles
AbstractA combination of variational and empirical methods to determine the porosity is used to give a theoretical explanation of the power-law...
-
Improvement of Theoretical Algorithm for Prediction of Carbon Nanotubes Catalytical Activity, Based on Quantum Chemical Semi-Empirical Approaches
AbstractWe improved our previous theoretical method for prediction of the catalytic activity of porous materials, which is based on the concept of...
-
Evaluation of Mason’s Empirical Formula Using a Chain Model of Polycrystalline Graphite
AbstractThe dependence of the temperature of minimum electrical resistivity on the size of the mosaic blocks of artificial graphite of GMZ grade...
-
A new semi-empirical model for correlation of solubility of ligands in supercritical carbon dioxide
Model correlation of solubilities of task-specific ligands in supercritical carbon dioxide medium (SC-CO 2 ) plays an important role in development of...
-
Leveraging first-principles and empirical models for disturbance detection in continuous pharmaceutical syntheses
AbstractA strategy for combining theoretical and empirical model predictions to enhance process monitoring and disturbance detection in continuous...
-
A Comparison of the Peak-to-Background Method and an Empirical Correction of the Results in the Energy-Dispersive Electron Probe Quantitative Analysis of Powder Materials
AbstractSeveral algorithms for correcting the results of the quantitative electron probe elemental analysis of samples with rough surfaces and powder...
-
Empirical Models of Sigmoid and Non-Sigmoid Hydration and Moisture Sorption Curves
There are several published empirical mathematical models to describe the water content vs. time relationships in dry or dried-food spontaneous...
-
An empirical examination of ISO 9001’s influence on sustained success of companies
The purpose of this study was to study the impact of ISO 9001 on the main factors of the sustained success of companies. A background theoretical...
-
Conductometric Methods
Conductometric methods are popular techniques and are the simplest of various electroanalytical methods.
-
Experimental Methods
In this chapter, we describe important experimental methods for studying colloidal self-assembly. They include preparation of colloidal samples,...
-
-
Empirical mathematical model for absorption and evaporation phenomena of organic solvent in electrically-sensitive wood
Wood, an anisotropic and hygroscopic material, is often exposed to organic solvents as well as moisture, accompanying absorption and evaporation...
-
Quantum-Chemical Methods
This chapter describes the different methods used in computational chemistry to determine the equilibrium structure of an isolated molecule. It...
-
Filling data gaps in long-term solar UV monitoring by statistical imputation methods
Knowledge of long-term time trends of solar ultraviolet (UV) radiation on ground level is of high scientific interest. For this purpose, precise...
-
Tortuosity-Porosity Relationships: Review of Empirical Data from Literature
It is generally assumed that transport resistance in porous media, which can also be expressed as tortuosity, correlates somehow with the pore volume...
-
Experimental measurement and empirical modeling of surface tension of ammonium and phosphonium salt-based DESs
Deep eutectic solvents (DESs) have been a field of intensive research globally due to their synthetic flexibility and environmentally benign nature....
-
An empirical model of heat-treated straw bulks’ thermal conductivity based on changes in mass and chemical composition
An empirical model was developed to estimate the thermal conductivity of heat-treated straw bulks based on laboratory experiments. During the...
-
Oleogel Preparation Methods and Classification
Oleogels are prepared through a complex interplay of various factors such as the oil phase, the oleogelator, and processing conditions. Different...
-
Comparative Study of Phenotypic and Genotypic Methods for Biofilm Detection on Medical Devices: An Empirical Approach
Biofilms are polymeric matrices produced by a community of microorganisms which tend to bind to biotic and abiotic surface. Biofilm is composed of...