How reliable is the hard–soft acid–base principle? An assessment from numerical simulations of electron transfer energies
出版年份 2013 全文链接
标题
How reliable is the hard–soft acid–base principle? An assessment from numerical simulations of electron transfer energies
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 15, Issue 33, Pages 13959
出版商
Royal Society of Chemistry (RSC)
发表日期
2013-06-19
DOI
10.1039/c3cp51134k
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Communication: A case where the hard/soft acid/base principle holds regardless of acid/base strength
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- Hard and Soft Acids and Bases: Structure and Process
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- The Fukui potential is a measure of the chemical hardness
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- The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
- (2011) Carlos Cárdenas et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Spectroscopic evaluation of the global hardness of the atoms
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- A quest for the algorithm for evaluating the molecular hardness
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- Utility of the Hard/Soft Acid−Base Principle via the Fukui Function in Biological Systems
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- (2010) James S.M. Anderson et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Should negative electron affinities be used for evaluating the chemical hardness?
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- (2009) James L. Reed INORGANIC CHEMISTRY
- Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential
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- On the applicability of local softness and hardness
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- Do the Local Softness and Hardness Indicate the Softest and Hardest Regions of a Molecule?
- (2008) Miquel Torrent-Sucarrat et al. CHEMISTRY-A EUROPEAN JOURNAL
- Hard and Soft Acids and Bases: Atoms and Atomic Ions
- (2008) James L. Reed INORGANIC CHEMISTRY
- Local hardness equalization: Exploiting the ambiguity
- (2008) Paul W. Ayers et al. JOURNAL OF CHEMICAL PHYSICS
- A New Scale of Electronegativity Based on Electrophilicity Index
- (2008) Siamak Noorizadeh et al. JOURNAL OF PHYSICAL CHEMISTRY A
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