Sentence examples for calculating properties from inspiring English sources

The chapter also verifies the experimental data of thermodynamic models and tools for calculating properties for CO2 and CO2-rich mixtures.

The scPBE0 calculations provide accurate structural properties and band gaps versus experimental data, and we can therefore be relatively confident when calculating properties less easily accessible directly by experiment.

A number of products have been created along the way, for drawing structures and reactions, managing collections of data, searching databases, creating publication quality graphics, sharing and collaborating, calculating properties, and model building for drug discovery research.

Through these cloud services, developers can access tools for comparing molecules, calculating properties, accessing databases, working with other formats such as ICL, ChemDraw CDX and SMILES, generating and parsing IUPAC names, simulating spectra and more.

He noted that calculating properties of an arbitrary quantum model on a classical device is a seemingly very inefficient thing to do (taking a time that scales exponentially with the number of particles in the model being simulated), but a quantum device might be able to do this efficiently (taking a time that scales at most polynomially with particle number [52]).

Current practice in the development of computer programs, property tables, and charts involves the correlation of selected experimental data for a particular fluid or mixture using a model, which is accurate for calculating properties over a wide range of pressures and temperatures.

The reason the commission granted such assessment reductions, Mr. O'Shea said, was because it used a different formula for calculating property values.

Later, however, the department acknowledged a problem, citing a computer error and saying that the wrong data had been given to assessors for use in calculating property values.

Izgec and Barrufet calculated the standard (BO) PVT properties from flash calculations using Whitson Torp algorithm (1983), and used Coats Procedure (1985) to calculate properties using a species material balance-based method.

Writing in the Aug. 15 issue of Nature, Dr. Cohen and other scientists at Berkeley reported that starting with the basic properties of the constituent atoms -- magnesium and boron -- they were able to calculate properties of magnesium diboride that matched what had been observed in experiments, including the maximum superconducting temperature -- minus 389 degrees Fahrenheit.

A method for estimating the uncertainty of calculated properties in density functional theory is introduced.