Sentence examples for calculated by quantum from inspiring English sources

The observed filling sequence can be calculated by quantum mechanics.

The total energy (E total) calculated by quantum chemical methods is also a beneficial parameter.

Nucleophilic superdelocalizability calculated by quantum mechanics appears to be a good parameter for prediction of both toxicity and genotoxicity effects of halogenated aliphatic compounds.

The energy required for CO generation could be calculated by quantum chemistry methods and mechanical energies during these experiments were also calculated.

The interaction between atoms Cu Cu, Pd Pd as well as Cu Pd were calculated by Quantum Sutton Chen (Q SC) many body potential.

In this study, the extreme learning machine (ELM) intelligence algorithm and a multiple linear regression (MLR) approach were used to predict the refractive index of ionic liquids (ILs) from molecular descriptors calculated by quantum chemistry.

Partial atomic charges were calculated by a quantum chemistry approach at the Hatree Fock/3-21*G level, to study the behavior of monopole, dipole and quadrupole electrostatic multipolar moments.

Various approaches to describe the molecular structure have been successfully used, including molecular fragments, topological indices, and descriptors calculated by semi-empirical quantum chemical methods.

If the system is subject to known dissipation and decoherence mechanisms, the quantum system evolution may be modeled theoretically and the process matrix be calculated by solution of the quantum master equation.

The electronic properties of the adsorbates were calculated by a semi-empirical quantum chemical method and compared with their adsorption selectivity.

For the two N-methyl-indazoles, this effect is even more pronounced and a theoretical equilibrium constant of 251 was calculated by Austin Model 1 semi-empirical quantum calculation (Öǧretir and Tai 2002).