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Development of a package for automating the pipeline processing of quantum- chemical calculations using GAMESS on a cluster with a slurm queuing system
Demidovich, N., Zav’yalov, D., Polikarpova, A.
. The package allows you to perform calculations in parallel on both shared and distributed memory systems
Calculation of flotator`s aerator for separation of ground plastics
Leudanski, A., Apimakh, Y., Volnenko, A., Zhumadullayev, D., Seitkhanov, N.
. For this purpose, a method of engineering calculation of the structural and technological parameters
Calculation of decoupling zeroes in the multiconnected dynamic system
Asanov A., Dem'Yanov D.
A recursive method for calculating decoupling zeroes in the linear multiconnected dynamic system
Fast and accurate calculation of hydration energies of molecules and ions
Voityuk A.A., Vyboishchikov S.F.
We present an efficient method with adjustable parameters for calculating the hydration free energy
Symbolic-Numerical Algorithm for Large Scale Calculations the Orthonormal SU(3) BM Basis
Deveikis A., Gusev A.A., Gerdt V.P., Vinitsky S.I., Góźdź A., Pȩdrak A., Burdik Č.
calculations feasible. We demonstrate efficiency of our procedure by benchmark large-scale calculations
Peculiarities of the maximum permissible disposal calculation for Arkhangelsk integrated Pulp-and-Paper-Mill
Frog D.B., Frog B.N., Harlamova M.D.
In the article there are considered possibilities of optimization of the calculation methods
Solvent effect on vibrational frequencies: Cryosolution experiments and density functional calculations
Stolov A., Herrebout W., Van Der Veken B.
-active fundamentals of the studied compounds. In parallel, the SFS values were calculated using the Self
Calculation of product costs of dairy cattle breeding in Russia
Musallyamova M., Antonova N.
to calculate the production cost of dairy breeding products in Russia. It offers scenarios to improve
Chemical bonding and quadrupole splittings of (57)Fe Mossbauer spectrum in active sites of oxyhemoglobin as calculated by X(alpha)-discrete variation method
Yuryeva, E. I.
Results of quantum-chemical X(alpha)-discrete variation method (X(alpha)-DVM) calculations
Analytical calculations in maple to implement the method of adiabatic modes for modelling smoothly irregular integrated optical waveguide structures
Sevastyanov L.A., Sevastyanov A.L., Tyutyunnik A.A.
This paper presents analytical calculations in CAS Maple. The calculations are used for the method

Страница 2 из 2020

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