Calculations for A-Level Chemistry (Calculations for A Level Chemistry)The third edition of this popular and comprehensive guide provides thorough expert explanations, worked examples and plenty of practice in chemistry calculations.Eileen RamsdenStanley Thornes...
虽然针对的是CIE Pre-U课程,但这是一本非常优秀的化学教科书,A-level学生也可以用作学习参考。 3. 《Oxford IB Chemistry Course Companion》 作者:Sergey Bylikin, Gary Horner, Brian Murphy, David Tarcy 这是一本非常好的大学预科化学教材,有很多附加的背景知识。 4. 《Calculations for AS/A2 Chemistry》 ...
Figure 4. Possible routes of water oxidation suggested by the DFT calculations.Left: the IMOC mechanism under low overpotential (thermodynamically favored pathway); right: the WNA mechanism under high overpotential. The calculated free energy changes (∆G) are given in the unit of eV. The number...
Our results for these calculations, given as distances determined via the former approach, are shown in Fig. 4c,d and Supplementary Table 4. The respective model values are based on the center points of the AVs depicted in Fig. 1 and given in Supplementary Table 4 (details in Supplementary ...
An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures. - yang
T4 DNA ligase buffer was added to a final concentration of 1X. T4 PNK and T4 DNA ligase were added to a final concentration of 10 units and 800 units, respectively. This ligation reaction was incubated at 37 °C for one hour and purified using the MinElute PCR Purification Kit (...
As level of theory, the revPBE functional was chosen for its improved performance compared to PBE for the solid-state calculations. Dispersion interactions are incorporated by means of the D3 corrections of Grimme et al.58,59. For each guest molecule (MSA and TFSA), cell parameters were ...
[96] synthesized fluoro-functionalized rGO materials (rGO-F) in order to form a hydrophobic layer on the rGO surface by using diazonium functionalization chemistry. Compared to another three separators in this work (fibrous separator, rGO and rGO-CF3), the cells with the rGO-F coated ...
2f). Under the reducing condition, with DTT (five-fold excess relative to Acr) maintained in the reaction buffer, the reduced NmeAcrIIC1 was able to inhibit the DNA cleavage by NmeCas9 completely with only a 1:1 ratio of Cas9 to Acr. In contrast, under the non-reducing condition ...
Next, each conformation was fully optimized at the PCM/B3LYP/6–31 G* level of theory in methanol as solvent using Gaussian 09, followed by frequency calculations at the same level to determine the nature of the stationary points and to compute the thermochemical properties (at 1.0 atm ...