On the exponential model for energy with respect to number of electrons.
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Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series.Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case.New Fukui, dual and hyper-dual kernels as bond reactivity descriptors.On understanding the chemical origin of band gaps.Note: The minimum electrophilicity and the hard/soft acid/base principles.How predictive could alchemical derivatives be?Local and linear chemical reactivity response functions at finite temperature in density functional theory.Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory.Interpolation of property-values between electron numbers is inconsistent with ensemble averaging.Systematic treatment of spin-reactivity indicators in conceptual density functional theoryCharge transfer and chemical potential in 1,3-dipolar cycloadditions
P2860
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P2860
On the exponential model for energy with respect to number of electrons.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年學術文章
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2012年學術文章
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name
On the exponential model for energy with respect to number of electrons.
@en
On the exponential model for energy with respect to number of electrons.
@nl
type
label
On the exponential model for energy with respect to number of electrons.
@en
On the exponential model for energy with respect to number of electrons.
@nl
prefLabel
On the exponential model for energy with respect to number of electrons.
@en
On the exponential model for energy with respect to number of electrons.
@nl
P2860
P1476
On the exponential model for energy with respect to number of electrons.
@en
P2093
Carlos Cárdenas
Patricio Fuentealba
P2860
P2888
P304
P356
10.1007/S00894-012-1708-5
P577
2012-12-18T00:00:00Z