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》 ...
Conventional energy functions used in sequence design calculations are often composed of pairwise terms that model inter-atomic interactions. Given the expressivity of deep neural networks, or their ability to approximate a rich class of functions, we predicted that a model conditioned on chemical cont...
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 ...
ChemTools is a free and open source Python library for interpreting the results of quantum chemistry calculations. The goal of ChemTools is to provide a toolbox by which the quantitative output of electronic structure theory calculations can be expressed in chemical language. ChemTools provides easy...
We performed quantum chemical calculations at the Fukui Institute for Fundamental Chemistry at Kyoto University, Japan, and the Vienna Scientific Cluster (VSC) computer center, which we thank for access. The financial support of the Austrian Research Promotion Agency (FFG), project “Chromophores-II...
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 (...
If anyone can guide me on the equivalent weight of Borax with its unique chemistry behavior, I'm sure I can proceed with the calculations for making the solutions. Some additional notes for clarification: - This product is used a buffer for HPLC amino acids, it is intend to buffer my samp...
Substitution effect of the trifluoromethyl group on the bioactivity in medicinal chemistry: statistical analysis and energy calculations. J. Chem. Inf. Model. 60, 6242–6250 (2020). Article CAS PubMed Google Scholar Zhuang, M. et al. Structures of SPOP-substrate complexes: insights into ...
All calculations were performed by using the Gaussian 16 program. Structural optimizations were carried out at the B3PW9166 level of density functional theory with the all-electron TZVP67 basis set in the gas phase. All optimized structures were characterized either as energy minimums without ...