Abell用chemical pseudopotential theory发现,系统的chemical binding energy E_b (对于不含电荷的共价体系这就是系统总势能)可以简单地写成nearest neighbors之间的能量之和,而不用考虑更远原子间的相互作用,即 其中b_{ij} 为bond order (BO) parameter, 可以理解为化学键的强弱: b_{ij} 越大, E_b 越小、...
I (OC-O), II (OP-O-H), III (OP-O-Zr) and IV (OZr-O-Zr) Groups 5 P 20 P I 533.0 532.7 Bonding energy (eV) II 531.5 531.4 III 530.3 530.4 IV 529 529.3 I 10.10 20.21 O1s component (%)* II III 21.52 32.15 13.54 36.12 IV 36.23 30.13 Table 2. Binding energies ...
energy decomposition analysisatoms in moleculeselectron localization functionresonance-assisted hydrogen bondsThe concept of hydrogen bonding (H bonding) has permeated deeply into a wide range of scientific disciplines. In particular, the critical influence of H bonds on the structure, properties and ...
Auger-induced rearrangement of an ion-bombarded/SiO 2 surface: Influence of electron energy Ion bombardment of SiO 2 produces an understoichiometric surface layer containing a distribution of bonding states: SiO 2 , SiO x and free Si. Under th... M Khellafi,B Lang - 《Applied Physics A》 ...
Corona Discharge: The ionized air generated by a corona discharge, reacts with the surface of the substrate to form free radicals. They react with oxygen in the atmosphere and increase the surface energy of the substrate to be bonded.
材料工程专业英语 Chapter2AtomicStructureandInteratomicBonding CovalentBond(SiO2B2O3)Metallicbond Importanttermsandconcepts Symmetrical对称的↔asymmetrical不对称的 Coulombicforce库仑力 covalent共价的~bond共价键 ductileEasilymoldedorshaped.可塑的，易成形的，可延展的 ≈malleable electronegative负电性的↔electro...
529 The intense low-energy absorption band around 400 nm is assigned to a dz2 → pz electronic transition. The three complexes all emit around 740 nm at 300 K and 670 nm at 77 K. The dimer excited states are stabilized relative to monomer levels by strong metal–metal bonding. The IrI...
2024, Energy Citation Excerpt : Because the deform command is the stretching command, the stretching rate should be set as negative to simulate the compression process. 0.08% of the box compression rate for every 100 steps was selected, and NVT ensemble was selected for the heddle to ensure th...
Consequently, supplementary data point sampling was performed for sample 8 at these lower temperatures, and the activation energy was extracted using data at higher temperatures. The activation energies are summarized in Table 1. Fig. 3 Experimental ln T1 relaxation times plotted as a function of ...
SecA uses the energy yielded by the binding and hydrolysis of adenosine triphosphate (ATP) to push secretory pre-proteins across the plasma membrane in bacteria. Hydrolysis of ATP occurs at the nucleotide-binding site, which contains the conserved carboxylate groups of the DEAD-box helicases. Altho...