About: An Occam's razor approach to chemical hardness: lex parsimoniae

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: An Occam's razor approach to chemical hardness: lex parsimoniae Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

scientific article published on 06 November 2018

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в листопаді 2018 (uk) article scientifique publié en 2018 (fr) im November 2018 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en payares de 2018 (ast) scientific article published on 06 November 2018 (en)
publication date	wds:Q58607634-12092919-B77F-4FA5-9803-6B0B2591A43D
publication date	2018-11-06 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58607634-D43DADD5-5037-4C60-B0E7-98C52ED5DA98
language of work or name	English
cites work	wds:Q58607634-07BD5EEA-277D-4185-BFB4-C34D803BEBCD wds:Q58607634-10152117-6C87-48D3-A119-F7AD51826928 wds:Q58607634-1900C49E-3C27-4048-A81F-26F02D96E29F wds:Q58607634-276BB795-5030-4E27-B44B-44AD72A8B83F wds:Q58607634-2D20672D-1FC9-44F0-B79B-A24367F74762 wds:Q58607634-2E2690BD-C204-471A-B258-197567672538 wds:Q58607634-31FA2B53-3CEB-4C3F-B4CD-C11CE984970D wds:Q58607634-3F2DB39B-0A77-405D-8575-56AC04E1427C wds:Q58607634-506B9681-55E7-4924-91C4-8BA882E3E724 wds:Q58607634-53CE6495-187E-44A3-9EB7-4B99F2965E61 wds:Q58607634-55A0269A-D32A-40B1-8C91-9CB2B19CC1AF wds:Q58607634-5DA68498-B866-4A6F-AEED-2FC3BB143D44 wds:Q58607634-6853E347-31D5-4123-B04C-DB7DE2504991 wds:Q58607634-71ED9F02-340F-4416-BC62-854C3B6653A0 wds:Q58607634-82DF30C0-DB2F-4754-9B61-3611F182C7B1 wds:Q58607634-9339AFB9-811E-4496-93F8-D5FD77EFCB24 wds:Q58607634-9F26A76F-117D-4F94-95E3-FF985B21D316 wds:Q58607634-A3144A30-73E7-4936-83BF-2750DE3C2A40 wds:Q58607634-B43A7E6B-C068-4364-B284-EC334AC7F66C wds:Q58607634-B6D60DF3-C7DC-4760-A21B-29BB5BEA9E7A wds:Q58607634-CCED85D6-B792-4F7F-9CC2-7C3425B930AE wds:Q58607634-DCED81BA-2E4F-41D9-A658-C3CD2E364295 wds:Q58607634-DDD9E5F6-7415-4EC5-A664-3B976D59E677 wds:Q58607634-E77596DA-8233-4190-9DD4-DA11D2593FE1 wds:Q58607634-EFC0D301-D4C5-49F3-A7CF-20965623A546 wds:Q58607634-F31E71CB-5242-4E1B-B7C1-24D069F09AEF wds:Q58607634-FD61A7B2-C681-4FF9-96EB-7ED406461D3B
cites work	Conceptual Density Functional Theory Acids and bases Average local ionization energy: A review Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series Should negative electron affinities be used for evaluating the chemical hardness? Interpolation of property-values between electron numbers is inconsistent with ensemble averaging. The physical basis of the hard/soft acid/base principle Quantum-thermodynamic definition of electronegativity Local hardness equalization: exploiting the ambiguity. On the applicability of local softness and hardness On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions The maximum hardness principle implies the hard/soft acid/base rule When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory. The unconstrained local hardness: an intriguing quantity, beset by problems. On the Validity of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations First-principles calculation of local atomic polarizabilities. Average Local Ionization Energies as a Route to Intrinsic Atomic Electronegativities. The generalized maximum hardness principle revisited and applied to solids (Part 2). The generalized maximum hardness principle revisited and applied to atoms and molecules. Use of nuclear stiffness in search for a maximum hardness principle and for the softest states along the chemical reaction path: a new formula for the energy third derivative gamma. A new approach to local hardness. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential. Average local ionization energy generalized to correlated wavefunctions Partial Charges on Atoms in Organic Compounds Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals Electronegativity-a perspective
author name string	wds:Q58607634-34D5AEB6-7F02-44CF-9A87-EFD10FB35B3D wds:Q58607634-905E37B4-09A4-4D5B-BC89-98517E9C072B
author name string	Jane S Murray Peter Politzer
rdfs:label	An Occam's razor approach to chemical hardness: lex parsimoniae (en) An Occam's razor approach to chemical hardness: lex parsimoniae (nl)
skos:prefLabel	An Occam's razor approach to chemical hardness: lex parsimoniae (en) An Occam's razor approach to chemical hardness: lex parsimoniae (nl)
name	An Occam's razor approach to chemical hardness: lex parsimoniae (en) An Occam's razor approach to chemical hardness: lex parsimoniae (nl)
title	wds:Q58607634-AD8373DA-F903-4220-BD16-755A85C410C4
title	An Occam's razor approach to chemical hardness: lex parsimoniae (en)
page(s)	wds:Q58607634-1A569884-AF1C-4500-8EC5-C0369604D236
page(s)	332
instance of	wds:Q58607634-0FBDF0F3-1205-4AFD-B74F-E0C950EB87A9
instance of	scholarly article
PubMed ID	wds:Q58607634-25C77207-1E55-48A2-BD83-D34FAF43AF17
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/30402677
PubMed ID	30402677
published in	wds:Q58607634-9ACCC9B4-39FB-4435-8DCC-859D317D6C7F
published in	Journal of Molecular Modeling
issue	wds:Q58607634-8A10820B-09B1-4CCA-823B-6F0E22F41B6E
volume	wds:Q58607634-030AD195-3CDB-4EAA-88DA-EBF99A29C738
issue	12
volume	24
DOI	wds:Q58607634-D8BACC04-0855-49D0-BA25-8B2C1F8FDFA1
DOI	http://dx.doi.org/10.1007/S00894-018-3864-8
DOI	10.1007/S00894-018-3864-8
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58607634
is cites work of	Models of necessity
is cites work of	wds:Q98177947-7E93B59B-3767-4A97-9C31-F8494C908286

Faceted Search & Find service v1.16.117 as of May 05 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of May 5 2024, on Linux (x86_64-centos_6-linux-gnu), Single-Server Edition (378 GB total memory, 195 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software