Because the O-O bond energy in PS and PMS is smaller than that in H2O2, PS and PMS are easier to be activated [31]. In many previous researches, the UV wavelength for PS/PMS activation was fixed in 254 nm, which was proved indeed to provide enough energy to destroy the –O–O...
The volume of activation is probably easier to understand on an elementary level than the other important quantities of activation, i.e., the free energy, enthalpy, and entropy. Furthermore, the volume of activation should be rather ... E Whalley - 《Advances in Physical Organic Chemistry》 ...
It is found that the protonation of methane to CH5(+) decreases the energy for subsequent homolytic cleavage resulting in the exothermic (24.1 kcal/mol) formation of CH4(+*). Subsequent reaction with neutral methane while reforming CH5(+) gives the methyl radical enabling reaction with excess ...
- 《Journal of Radioanalytical & Nuclear Chemistry》 被引量: 8发表: 2014年 DLTS Study for Energy-Broadening of the Defect Level on Introducing Radiation Damage in GaP : Semiconductors and Semiconductor Devices Measurements of deep-level transient spectroscopy (DLTS) have been made on the n-GaP ...
Bacterial ClpP is a highly conserved, cylindrical, self-compartmentalizing serine protease required for maintaining cellular proteostasis. Small molecule acyldepsipeptides (ADEPs) and activators of self-compartmentalized proteases 1 (ACP1s) cause dysregu
The approach is based on the so-called activation strain model (ASM) of reactivity, which relates the relative energy of a molecular system to the sum of the energies required to distort the reactants into the geometries required to react plus the strength of their mutual interactions. Other ...
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996). Article CAS Google Scholar Van Speybroeck, V. et al. Advances in theory and their application within the field of zeolite chemistry. Chem. Soc. Rev. ...
This article is a review of the current knowledge of the chemical physics of carbon dioxide (CO2) conversion to fuels using light energy and water (CO2photoreduction) on titania (TiO2)-based catalysts and Ti-species in porous materials. Fairly comprehensive literature reviews of CO2photoreduction ar...
Activation energy is a term in the Arrhenius equation used to calculate the energy needed to overcome the transition state from reactants to products. The Eyring equation is another relation that describes the rate of reaction, except instead of using activation energy, it includes Gibbs energy of...
The potential-energy surface for C−H bond activation of norbornane by 'bare' FeO+ is examined at the B3LYP/6-31G** level of theory. The free ... Nathan,Harris,Sason,... - 《Helvetica Chimica Acta》 被引量: 105发表: 1999年 The phase transition of the first order in the critica...