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The Fukui potential is a measure of the chemical hardness
(2011)
The chemical hardness is, after the chemical potential, the most important concept in describing the chemical reactivity of atoms and molecules. Recently, we showed that the Fukui potential at the nucleus of an atom is ...
Automatic Recovery Estimation of Degraded Soils by Artificial Neural Networks in Function of Chemical and Physical Attributes in Brazilian Savannah Soil
(Taylor & Francis Inc, 2019-06-27)
The Oxisols is predominant in 54% of Brazilian territories and characterized by high weathering, relatively low chemical properties, and adequate structure. This study aimed to analyze the Oxisols through an Artificial ...
Introduction of external field effects in the frontier molecular orbital theory of chemical reactivity
(1992)
External field effects are introduced in both charge and orbital control terms of Klopman–Salem formalism for the study of chemical reactivity in condensed phase. An analytical expression is derived for the change of the ...
Chemical bonding and reactivity: A local thermodynamic viewpoint
(Elsevier, 1999)
The possibility of gaining insight into chemical bonding and reactivity through various local temperatures and associated entropy densities is explored. Comparisons of these quantities with other local reactivity descriptors ...
Should negative electron affinities be used for evaluating the chemical hardness?
(2011)
Despite recent advances in computing negative electron affinities using density-functional theory, it is an open issue as to whether it is appropriate to use negative electron affinities, instead of zero electron affinity, ...
Soil CO2 emission in sugarcane management systems
(Taylor & Francis As, 2015-01-01)
Sugarcane management systems affect soil attributes such as the carbon cycle. This fact has stimulated the sugar and alcohol industry to refine the sugarcane production systems by replacing the pre-harvest burning (PB) and ...
Solvent effects on the amidic bond. 1H nuclear magnetic resonance study of acetamide and N-methylacetamide
(1981)
The influence of various common basic solvents on the 1H n.m.r. spectra of the N-H protons in N-methylacetamide and acetamide has been studied. The chemical shifts at infinite dilution show approximately linear relationships ...
Root system and its relations with soil physical and chemical attributes in orange culture
(2021-02-02)
Citrus companies have sought and developed alternative systems of tillage or implanting orchards so as not to significantly alter the physical and chemical attributes of the soil and, consequently, the root development of ...