About: CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density

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About: CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density Goto Sponge NotDistinct Permalink

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scientific article published on 01 July 2003

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в липні 2003 (uk) im Juli 2003 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en xunetu de 2003 (ast) scientific article published on 01 July 2003 (en)
publication date	wds:Q73825521-6BE5C8AE-5D3E-46E7-BE7D-AA8AC1C711C2
publication date	2003-07-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q73825521-1D431CC0-55D0-43E9-8CBE-96DC3BC74E69 wds:Q73825521-3385EFAA-F6B8-4AD4-9ACA-F187A2D2727C wds:Q73825521-3F6DC1DE-2161-475A-BE01-A39618E4DADF wds:Q73825521-6921CD88-403C-4033-97CC-344EEFC7F4FC wds:Q73825521-6AC48A4E-37E6-4AF1-A7A2-19C675C86185 wds:Q73825521-6E69DA52-709D-4064-88CF-2FB195C392B4 wds:Q73825521-AEAD70B9-3439-4642-AAFC-C59DA8CC8DE9 wds:Q73825521-E97C014D-03CD-4251-B0A2-FC1B62718F74
cites work	Density-functional thermochemistry. III. The role of exact exchange General atomic and molecular electronic structure system A New Look at Electron Localization Electron density in the peptide bonds of crambin Classification of chemical bonds based on topological analysis of electron localization functions Molecular surfaces from the promolecule: A comparison with Hartree-Fockab initio electron density surfaces Hydrogen bond energetics from topological analysis of experimental electron densities: Recognising the importance of the promolecule Molecular similarity based on information entropies and distances
rdfs:label	CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (en) CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (nl)
skos:prefLabel	CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (en) CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (nl)
name	CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (en) CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (nl)
author	wds:Q73825521-F4685816-4BD7-4144-A18C-5AE37939954E
author	Luis F Pacios
title	wds:Q73825521-87E00966-227A-40F6-9E53-D778F87B6785
title	CHECKDEN: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density (en)
page(s)	wds:Q73825521-7AEB5BFE-F5CE-49DB-A49B-A54177FFF721
page(s)	197-209
instance of	wds:Q73825521-76D267F1-14D8-4DBD-AD49-07D00EFA6BB6
instance of	scholarly article
main subject	wds:Q73825521-7FBC9DFB-F53F-46E0-8F89-7660016D91AF
main subject	program
PubMed ID	wds:Q73825521-649BF8CE-679C-4040-B519-9E0A758A3E91
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/12927096
PubMed ID	12927096
DBLP publication ID	wds:Q73825521-D2FE5DC2-F82F-433E-B78B-06E983D0FE62
DBLP publication ID	https://dblp.org/rec/journals/candc/Pacios03
DBLP publication ID	journals/candc/Pacios03
published in	wds:Q73825521-5CDEE339-7302-4E48-A9FF-2A3BF7989D8F
published in	Computational Biology and Chemistry
issue	wds:Q73825521-CC5D7C2D-D226-48AD-A28A-05BED8134D4A
volume	wds:Q73825521-A9B461F9-57A7-4C14-9752-B432EF4C1F90
issue	3
volume	27
DOI	wds:Q73825521-B86E7729-FF98-4553-9BE7-6B5D518FEE30
DOI	http://dx.doi.org/10.1016/S0097-8485(02)00054-2
DOI	10.1016/S0097-8485(02)00054-2
maintained by WikiProject	wds:Q73825521-F342F689-37A8-430F-88BE-59A4099D537E
maintained by WikiProject	WikiProject Mathematics
zbMATH Open document ID	wds:Q73825521-BD5FBDE8-152A-4769-BEEB-83E2761E2215
zbMATH Open document ID	1038.92047
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q73825521

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