Sentence examples for calculations of properties from inspiring English sources

The recent availability of high-speed supercomputers to solve the Schrödinger equation has made possible accurate calculations of properties for atoms and molecules with ever larger numbers of electrons.

The system can interface to programs developed for the calculations of properties and physicochemical parameters of organic molecules from their structural formulae.

In his ruling, Justice Leland DeGrasse of State Supreme Court in Manhattan upheld a 1997 law the City Council enacted to clarify the calculations of property value assessments by the State Division of Housing and Community Renewal in figuring rent increases.

This characteristic of regular smooth pattern also facilitates the calculation of properties of a given substance by knowing the same property for another substance that has the same cation or anion.

For this purpose, those processes which are well established in the chemical industry, including the use of substance databases and calculation of properties by means of thermodynamic theories, will be discussed.

We present here an updated version of wannier90, wannier90  2.0, including minor bug fixes and parallel (MPI) execution for band-structure interpolation and the calculation of properties such as density of states, Berry curvature and orbital magnetisation.

The modified PRSV equation of state solves the issue of the artificial discontinuity in the calculation of properties relevant to scientific and industrial applications, at the cost of a small decrease in overall accuracy.

Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of properties, namely energy and trial wave function, onto reconfigurable hardware.

For example, for the calculation of property refurbishment and renovation costs, building geometry is linked to a cost database or cost estimations.

We present calculations of various properties of the ground and excited electronic states of Coumarin NKX-2807.

A detailed model of the THF dynamics is then proposed through the calculations of MD-derived properties.