Sentence examples for mechanical calculations of from inspiring English sources
In a similar spirit, Scerri points out that the quantum mechanical calculations of atomic spectra standardly presented in chemistry textbooks make highly idealized assumptions about the structure of many-electron systems.
We describe the methods used in a computer code for quantum mechanical calculations of bound and resonance states of four-body systems.
In this way a link between first-principle quantum mechanical calculations of gas surface interactions, reactor design, and catalyst selection has been established for the first time.
The investigation of formation of thermal degradation products in AEEA system was conducted in three different conditions; thermal degradation in the absence of CO2 (AEEA/H2O), thermal degradation in the presence of CO2 (andA/H2O/CO2) and quantum mechanical calculations of the formation of the main degradation product (HEIA).
Quantum mechanical calculations of the total partial charges for different triads clearly show that the electrostatic charge distribution within S and MMA repeat units remains almost unchanged as their neighboring segments change chemical identity.
In mechanistic considerations of possible lines of oxidative attack on RBB, we looked at electrolyte composition and properties of electronic structure of RBB, by utilizing quantum mechanical calculations of molecular orbitals.
Quantum mechanical calculations on fragments of the soot structure were performed with the programs GAUSSIAN 98[20] and DMol[3] (ref. 21).
Quantum mechanical calculations on oxidation of chlorogenic acid in aqueous solution, using density functional theory are presented.
The molecular and electronic structure of all-thiophene dendrimers in both the neutral and oxidized states have been investigated performing quantum mechanical calculations on systems of up to 30 rings.
His research interest is mechanical calculation of the fluid.
Further, this model has been shown to agree with a quantum mechanical calculation of a single ion immersed in a buffer gas over its range of validity [30].
