Ka chemistry - An acid dissociation constant (Ka) is a quantitative measure of the strength of an acid in solution. An acid dissociation constant, Ka is a quantitative measure of the strength of an acid in solution. It is the equilibrium constant for a c
Ka = [H+][A-] / [HA] and pKa = pH + log{ [A-] / [HA]} When you are halfway to the equivalence point, you have neutralized half the HA and turned it into and an equal amount of A- (and H+). So, [HA] = [A-], [A-]/[HA] = 1, log{ 1 } = 0, and pKa = ...
《现代物理有机化学》笔记 第五章 酸碱(1) 跳过第四章《Molecular Recognition and Supramolecular Chemistry》一是因为这个和后面的有机内容关系不大,书绪论也说了可以跳过,二是因为超分子这几年发展太快了,这书写在十多年前,当时就能把超分子写成一章已经很不容易了,现在COF、MOF之类的材料把超分子化学推进了太...
pKa - The pKa value is the negative base -10 logarithm of the acid dissociation constant (Ka) of a solution. The quantitative behavior of acids and bases in solution can be understood only if their pKa values are known. To learn more about Calculation o
9 RegisterLog in Sign up with one click: Facebook Twitter Google Share on Facebook PKA Dictionary Medical Encyclopedia Wikipedia Category filter: AcronymDefinition PKAPreviously Known As PKAProtein Kinase A PKAIonization Constant(chemistry, kinetics) ...
LFER方法是发展历史 软件 公司 表 2 pKa 预测软件[6] a) Table 2 Softwares for pKa prediction[6] 方法 预测集个数 ACD/pKa ADME Boxes Advanced Chemistry Development Pharma Algorithms LFER QSPR 261 256 ADMET Predictor Simulations Plus QSPR 261 Epik Schrödinger LFER 257 Jaguar Schrödinger DFT/...
Figure 1. 一些醇的pKa值,由Ballinger和Long测定。水的值是热力学(pKw=14.00)或计算的(15.74),不是测量的。(Levine的物理化学教材包含类似的Ka图,333页的11.1,但它只给出了热力学错误的“合理值”) 化学教科书中的pKa表 1960年,在Ballinger和Long发表他们的成果后,很快各大基础化学教材和有机教材的pKa表出现...
Calculations of aqueous pKavalues have a long history in computational chemistry, with methods ranging from direct quantum-mechanical approaches for determining the free energy of protonated and deprotonated species in solution using explicit, implicit, or hybrid solvation models, to continuum electrostatics...
Bordovska and T. Syrovy, "A Novel Computational Strategy for the pKa Estimation of Drugs by Nonlinear Regression of Multiwavelength Spectro- photometric pH-Titration Data Exhibiting Small Changes," Journal of Physical Organic Chemistry, Vol. 20, 2007, pp. 690-701....
ph = pka it is worth mentioning that this equation is occasionally written for the ka value instead of the pka value, so you should be familiar with the relationship: pka = -logka the henderson-hasselbalch equation’s assumptions because it excludes water chemistry from the equation, the ...