Journal ArticleDOI
Hard and soft acids and bases
Reads0
Chats0
TLDR
In this paper, the rate data for the generalized nucleophilic displacement reaction were reviewed, and the authors presented a method to estimate the rate of the generalized displacement reaction in terms of the number of nucleophiles.Abstract:
Recently (1) the rate data for the generalized nucleophilic displacement reaction were reviewed.read more
Citations
More filters
Journal ArticleDOI
Conceptual density functional theory.
TL;DR: This chapter discusses the development of DFT as a tool for Calculating Atomic andMolecular Properties and its applications, as well as some of the fundamental and Computational aspects.
Journal ArticleDOI
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
TL;DR: The Rehybridization of the Acceptor (RICT) and Planarization ofThe Molecule (PICT) III is presented, with a comparison of the effects on yield and radiationless deactivation processes.
Journal ArticleDOI
Density Functional Theory of Electronic Structure
TL;DR: In this article, the current status and trends of approximation methods (local density and generalized gradient approximations, hybrid methods) and the new light which density functional theory has been shedding on important concepts like electronegativity, hardness, and chemical reactivity index are discussed.
Journal ArticleDOI
Biosorbents for heavy metals removal and their future
Jianlong Wang,Can Chen +1 more
TL;DR: The biosorbents widely used for heavy metal removal were reviewed, mainly focusing on their cellular structure, biosorption performance, their pretreatment, modification, regeneration/reuse, modeling of biosor adaptation (isotherm and kinetic models), the development of novel biosorbent, their evaluation, potential application and future.
Journal ArticleDOI
A review on g-C3N4-based photocatalysts
TL;DR: In this paper, the fundamental mechanism of heterogeneous photocatalysis, advantages, challenges and the design considerations of g-C3N4-based photocatalysts are summarized, including their crystal structural, surface phisicochemical, stability, optical, adsorption, electrochemical, photoelectrochemical and electronic properties.
References
More filters
Journal ArticleDOI
Electronegativity values from thermochemical data
TL;DR: In this paper, the electronegativities of sixtynine elements have been calculated from the most recent thermochemical data, and the mean deviation of the calculated electronegativity difference, 0·208 √ †, from the difference of the average electrone-gativities is 0·046 units.
Journal ArticleDOI
Proton Transfer, Acid‐Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
TL;DR: In this paper, the authors present a relatively complete picture of the elementary proton transfer mechanisms and a comprehensive description of the modes and laws of acid-base and enzymatic catalysis.
Journal ArticleDOI
The relative affinities of ligand atoms for acceptor molecules and ions
Journal ArticleDOI
The Factors Determining Nucleophilic Reactivities
John O. Edwards,Ralph G. Pearson +1 more
Related Papers (5)
Absolute hardness: companion parameter to absolute electronegativity
Robert G. Parr,Ralph G. Pearson +1 more