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The HSAB principle from a finite-temperature grand-canonical perspective
(Springer New York LLC, 2017)
© 2017, Springer-Verlag GmbH Germany.We provide a new proof for Pearson’s hard/soft acid/base (HSAB) principle. Unlike alternative proofs, we do not presuppose a simplified parabolic dependence on the energy of the system ...
Global and local analysis of the gas-phase acidity of haloacetic acids
(2000)
The relative gas-phase acidity of halosubstituted acetic acids CH2XCO2H, CHX2CO2H and CX3CO2H (X = F, CI, and Br) is analyzed in terms of global and local descriptors of reactivity. The model is based on the analysis of ...
Graphene for amino acid biosensing: theoretical study of the electronic transport
(Elsevier, 2017-10)
The study of biosensors based on graphene has increased in the last years, the combination of excellent electrical properties and low noise makes graphene a material for next generation electronic devices. This work discusses ...
Organic Acids without a Carboxylic Acid Functional Group
(Journal of Chemical Education 77(7):910-915. July 2000, 2000-07)
This paper presents several organic molecules that have been labeled as acids but do not contain a carboxylic acid functional group. The rationale for the nomenclature and appropriate explanations for the apparent acidity ...
Effect of temperature on acid-base equilibria in separation techniques. A review
(Elsevier Science, 2015-08)
Studies on the theoretical principles of acid-base equilibria are reviewed and the influence of temperature on secondary chemical equilibria within the context of separation techniques, in water and also in aqueous-organic ...
A hardware interpretation of the evolution of the genetic code
(1985)
A quantitative rationale for the evolution of the genetic code is developed considering the principle of minimal hardware. This principle defines an optimal code as one that minimizes for a given amount of information ...
Bentazon Determination by Conductometric Titrantion Using Acid Hydrocholoric as Titrant
(Brazilian Chemical Soc, 2016-01-01)
Bentazon is an active principle of post-emergence herbicides used to control weeds in several crops of oilseeds, leguminous and cereals. Commercial formulations of these herbicides are found as concentrated solutions of ...
Computational study of transport properties of graphene upon adsorption of an amino acid: importance of including -NH2 and -COOH groups
(Springer, 2017-03)
The effects of histidine and its imidazole ring adsorption on the electronic transport properties of graphene were investigated by first-principles calculations within a combination of density functional theory and ...
Rebound acid hypersecretion after withdrawal of gastric acid suppressing drugs: new evidence of similitude
(ELSEVIER SCI LTD, 2011)
Background: Homeopathy is based on the principle of similitude (similia similibus curentur) using medicines that cause effects similar to the symptoms of disease in order to stimulate the reaction of the organism. Such ...