binding energybonds (chemical)interface structureion beam effectsironprotective coatingssputter etchingX-ray photoelectron spectrayttrium compoundsBinding energies of elements at the interface of oxygen-ion-irradiated ZrO -Y O films on an iron substrate were investigated by using X-ray photoelectron ...
Binding energy, occupancy and spin-cutoff factor are calculated from configuration-isospin density distributions. Corrections to gaussian shapes are needed since the low-lying configurations have predominantly positive skewness and high-lying ones negative skewness. Mass 28 nuclei in the (ds) 12 model ...
In these cases, diagonal elements of the self-energy operator are needed in calculations that employ a highly simplified form of the Dyson equation. When qualitatively important correlation or final-state orbital relaxation effects are present, methods based on renormalized, nondiagonal self-energy ...
An empirical relation between matrix elements for slightly different parameters is described. It indicates that the interaction and the harmonic-oscillator ... Martin,G.,Redlich - 《Physical Review》 被引量: 5发表: 1965年 Reexamining the relation between the binding energy of finite nuclei and the...
(PPS)] by the deMon-KS DFT calculations using modifica- tion of screening constants for third periodic elements of the 2p core-hole with the Slater's transition-state concept.13 We, first, calculated Si 2p and S 2p CEBEs of Si-, and S-containing single molecules in gas-phase by DFT...
In recent years, considerable interest is shown in the study of decomposition of quenched supersaturated alloys, in order to evaluate the interaction energy between solute atoms and vacancies, which is helpful in understanding the behaviour of crystalline solids. A few theoretical estimates and a large...
(site-1 protease) and S2P (site-2 protease). The fragment with bHLH-ZIP domain of SREBP protein translocates to the nucleus. There it binds to the steroid response elements (SRE) in the promoter regions of genes that encode enzymes involved in cholesterol synthesis, including squalene synthase...
Chemical shifts observed in high-resolution X-ray photoelectron spectroscopy (XPS) spectra are normally used to determine the chemical state of the elements of interest. Often, these shifts are small, or an element is present in several oxidation states in the same sample, so that interpretation ...
(Ni5.2WCu2.227, CoNiMo28) has been reported as an efficient approach to improve the activity and more than an order of the magnitude enhancement compared with pristine Ni has been achieved. Cooperating with non-metal elements, such as doping N or O in catalyst nanoparticle or substrate (e.g...
Convert all operations to sympy, so that one can output analytical Tightbinding matrix elements for ease of access Low energy k.p hamiltonian from sympy Citation If you are using the code, please consider citing it with the followig bib ...