About: Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations

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About: Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations Goto Sponge NotDistinct Permalink

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scientific article published on 08 February 2006

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в лютому 2006 (uk) im Februar 2006 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en febreru de 2006 (ast) scientific article published on 08 February 2006 (en)
publication date	wds:Q62523225-80780F1A-80D2-4CD7-B68D-00BA0D6E0CD3
publication date	2006-02-08 00:00:00Z (xsd:dateTime)
exact match	wds:Q62523225-D3DAA6F8-22E9-4F02-8B39-AB7BF180CD47
exact match	https://scigraph.springernature.com/pub.10.1007/s00894-005-0027-5
cites work	wds:Q62523225-1C056E95-951C-4F24-8EBA-F0B080FD6C8C wds:Q62523225-410A0030-A18D-4630-89C0-DE711FDC4973 wds:Q62523225-5E7F7D7A-8A81-4F56-8BB9-4F0486D91DC6 wds:Q62523225-65FEE8CE-753B-44AE-8E88-A958F154FFDD wds:Q62523225-776B13CF-FE4F-44F8-9AD1-4EB9012AB24B wds:Q62523225-7BF153B7-EF91-4550-A16F-18D89A261E3B wds:Q62523225-8830F86D-47FA-4DA5-B595-3BBB1A4B0A2B wds:Q62523225-ACDC018C-A31E-4BF2-A8C1-9B7A4EFE5146 wds:Q62523225-C41B14DB-F38E-4EB4-814C-5983D6B8D61B
cites work	The Cambridge Structural Database: a quarter of a million crystal structures and rising New software for searching the Cambridge Structural Database and visualizing crystal structures Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution. Organo lanthanide metal complexes for electroluminescent materials Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry Theoretical studies of organometallic complexes of uranium involving nitrogen ligands using density functional approaches DFT studies of uranyl acetate, carbonate, and malonate, complexes in solution Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III). Sparkle model for AM1 calculation of lanthanide complexes: improved parameters for europium
author name string	wds:Q62523225-07B2930E-5BC2-4C35-9D3B-B402A696049A
author name string	Alfredo M Simas
rdfs:label	Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (en) Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (nl)
skos:prefLabel	Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (en) Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (nl)
name	Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (en) Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (nl)
author	wds:Q62523225-95783D8C-C49B-4D73-B70D-D83278F0083B wds:Q62523225-C643C3C4-20D4-4C61-83A5-8D0EF835D138
author	Ricardo O Freire Gerd B Rocha
title	wds:Q62523225-13D56F10-33B9-4763-BC81-64526D11D95C
title	Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations (en)
page(s)	wds:Q62523225-66EFA5CE-BEC3-4AD7-8EF3-1D5083DC3FE7
page(s)	373-389
instance of	wds:Q62523225-4E7B9403-565D-4B0D-BABF-5454BA5C7B0F
instance of	scholarly article
PubMed ID	wds:Q62523225-40E3D0BB-55FB-496B-89B7-C8F530618447
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/16465508
PubMed ID	16465508
published in	wds:Q62523225-18C44AEF-6BFE-4D09-9F41-AC20E4CAA8FF
published in	Journal of Molecular Modeling
issue	wds:Q62523225-77A15E9F-9360-4FEF-ACB0-D0115B45443C
volume	wds:Q62523225-059E38F3-9BA4-44F3-AAB7-BF8526040B8C
issue	4
volume	12
DOI	wds:Q62523225-AC9C8515-0A25-4AD9-AC19-F1B51D3047F0
DOI	http://dx.doi.org/10.1007/S00894-005-0027-5
DOI	10.1007/S00894-005-0027-5
Dimensions Publication ID	wds:Q62523225-B0B5B4E2-89B6-4630-9865-ECE9A7D6CD71
Dimensions Publication ID	1041903970
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q62523225
is cites work of	Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials. Influence of the Crystal Structure on the Luminescence Properties of Mixed Eu,La-(1,10-Phenanthroline) Complexes Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbium.
is cites work of	wds:Q37250691-92505860-9681-499C-B67D-9979F136D270 wds:Q57651119-25084DBB-3263-40F5-B5FF-C680206E446B wds:Q41904003-0BBBEF8B-1E36-447F-8083-A14274C255FB

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