Interpolation of property-values between electron numbers is inconsistent with ensemble averaging.
about
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.Thermodynamic electrophilicity.Finite temperature grand canonical ensemble study of the minimum electrophilicity principle.Note: The minimum electrophilicity and the hard/soft acid/base principles.How predictive could alchemical derivatives be?
P2860
Q39316227-5F7476A6-7D0D-403A-81DB-0268C735C5B9Q46379616-E344F7C0-5CFE-4141-8EA8-39B0206B4E8CQ47809236-E6BAF28B-DE6F-4F10-8489-D8738E5D9E93Q47810276-2ED3E1B5-E044-4E28-963E-B0177B63B17EQ48264867-BC8A5DF9-3C15-4DAC-8C51-86ED46B0BAF4Q48288267-AD84DE07-02E3-4E64-A0D8-72712F7DE3D1Q50595348-2BA4F9E4-1A56-444C-9B77-FA8A1002ACDC
P2860
Interpolation of property-values between electron numbers is inconsistent with ensemble averaging.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年學術文章
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2016年學術文章
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2016年學術文章
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name
Interpolation of property-valu ...... stent with ensemble averaging.
@en
Interpolation of property-valu ...... stent with ensemble averaging.
@nl
type
label
Interpolation of property-valu ...... stent with ensemble averaging.
@en
Interpolation of property-valu ...... stent with ensemble averaging.
@nl
prefLabel
Interpolation of property-valu ...... stent with ensemble averaging.
@en
Interpolation of property-valu ...... stent with ensemble averaging.
@nl
P2860
P356
P1476
Interpolation of property-valu ...... stent with ensemble averaging.
@en
P2093
Ramón Alain Miranda-Quintana
P2860
P304
P356
10.1063/1.4953557
P407
P577
2016-06-01T00:00:00Z