aThe waterborne radon concentration Cw at the time of sample collection was determined using the following formula 水运氡气含量Cw在样品汇集之时使用以下惯例是坚定的[translate] avoice warning information and aircraft number into the solid voice circuits, the 声音警告信息和航空器数字到坚实语音电路里,[tra...
The final equation obtained was ln i0=(1/n) ln R+C, where R is the resistivity and n is numbers of power of mobility of an electron to its effective mass in a formula: 渭=Cm*-n. The values of n found for La1-xSrxMnO3 and LaNi1-xFexO3 were very close to those derived in...
Coordinate scaling in time-dependent current density functional theory The coupling constant dependence is derived in time-dependent {\\em current}\ndensity functional theory. The scaling relation can be used to check\napproximate functionals and in conjunction with the adiabatic connection\nformula to...
In this work, the DFT simulations of bulk and surfaces of LSC-50 were performed with 2 × 2 × 4 supercells, or with 16 formula units (FUs) of LSC-50, which leads to significant electron donation/removal contributions in the basic DFT energies. For example, when simulating ...
The effect of the operating parameters, such as current density, flow rate, pH type of ion-exchange resins, and initial conductivity value of the aqueous solution, on the system efficiencies are investigated. Finally, the proposed electrochemical stack's energy consumption and hydrogen production ...
We conducted a large-scale density-functional theory study on the influence of the exchange-correlation functional in the calculation of electronic band gaps of solids. First, we use the large materials data set that we have recently proposed to benchmark 21 different functionals, with a particular...
aX 电位 Y log电流密度 1 阳极扫描 2 再活化扫描 X electric potential Y log current density 1 anode scanning 2 reactivationing scannings[translate] aIn particular, the Convention used the term cultural heritage to refer to monuments, groups of buildings, and sites which were all clearly tangible....
The number of formulae will be, as usual with guesses, almost unlimited.27 Let us take the simplest ones. 11.5.1 LOCAL DENSITY APPROXIMATION (LDA) The electrons in a molecule are in quite a complex situation, because they not only interact between themselves, but also with the nuclei. ...
Assuming that the two types of cages are fully occupied with guest molecules, the sI hydrate has a chemical formula of 8X·46H2O, where X is the guest molecule, or a hydration number of 5.75 [13]. Even though both CH4 and CO2 hydrates have the same theoretical hydration number, ...
Such vinyl compounds may be represented by the formula: CF2 =CF--TK CF2 SO2 F wherein T is a bifunctional fluorinated group having 1 to 8 carbon atoms and K is 0 or 1. The above-mentioned bifunctional fluorinated group (T) may have a chlorine atom as a substituent. In this group,...