About: Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies

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About: Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies Goto Sponge NotDistinct Permalink

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scientific article published on 01 November 2003

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в листопаді 2003 (uk) مقالة علمية تنشرت ف 1 نونمبر 2003 (ary) im November 2003 veröffentlichter wissenschaftlicher Artikel (de) article scientifique publié en 2003 (fr) scientific article published on 01 November 2003 (en) artículu científicu espublizáu en payares de 2003 (ast)
publication date	wds:Q79315906-89217D22-A7D3-420F-A1EC-55B9D307224C
publication date	2003-11-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q79315906-15B340A0-B506-463B-9813-3800A447036B wds:Q79315906-67AF630A-42B6-4813-928B-4E2042836D2E wds:Q79315906-FABFB29A-95B3-48C1-BED6-D551FB8826A7
author name string	Yong Feng Hao Huang Jin-Ti Wang
rdfs:label	Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (en) Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (nl)
skos:prefLabel	Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (en) Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (nl)
name	Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (en) Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (nl)
author	wds:Q79315906-54AB70A8-70CA-42AE-BFE4-FEE34BDB09D8 wds:Q79315906-BA9DABAF-5A87-4317-987E-AC9C07E2AD82
author	Lei Liu Qing-Xiang Guo
title	wds:Q79315906-F67E14D2-5250-43C3-AE36-11F7C73076AE
title	Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies (en)
page(s)	wds:Q79315906-0E2526E1-A36B-4FB3-B561-87A349B1DA75
page(s)	2005-2013
instance of	wds:Q79315906-EDF54A15-9BA6-44B3-87C8-81C738530CB6
instance of	scholarly article
PubMed ID	wds:Q79315906-ED12ED94-AD67-4F48-81E3-56261963EB23
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/14632451
PubMed ID	14632451
DBLP publication ID	wds:Q79315906-AB90A52D-6ECF-4776-AD12-C578F8745AA1
DBLP publication ID	https://dblp.org/rec/journals/jcisd/FengLWHG03
DBLP publication ID	journals/jcisd/FengLWHG03
published in	wds:Q79315906-44599B79-CBE3-42AB-9561-418F1DB62978
published in	Journal of Chemical Information and Computer Sciences
issue	wds:Q79315906-69F7F08A-8B78-467F-80EB-80ED01E853FC
volume	wds:Q79315906-042EFFC2-EF6B-4B31-97FB-FC15DB676B8D
issue	6
volume	43
DOI	wds:Q79315906-95CF0B3F-3E95-4A9A-BB62-F6B259149C43
DOI	http://dx.doi.org/10.1021/CI034033K
DOI	10.1021/CI034033K
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q79315906
is cites work of	A big data approach to the ultra-fast prediction of DFT-calculated bond energies Theoretical bond dissociation energies of halo-heterocycles: trends and relationships to regioselectivity in palladium-catalyzed cross-coupling reactions Hydrocarbon bond dissociation enthalpies: from substituted aromatics to large polyaromatics. Computational study of bond dissociation enthalpies for substituted β-O-4 lignin model compounds Alkoxyamines of Stable Aromatic Nitroxides: NOvs. CO Bond Homolysis Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost Site-selective Suzuki-Miyaura coupling of heteroaryl halides - understanding the trends for pharmaceutically important classes. UV-activated ZnO films on a flexible substrate for room temperature O2 and H2O sensing. Radical [1,3] Rearrangements of Breslow Intermediates Structure-thermodynamics-antioxidant activity relationships of selected natural phenolic acids and derivatives: an experimental and theoretical evaluation Effect of the carboxylate salt on the C--ON bond homolysis of SG1-based alkoxyamines Homolysis of N-alkoxyamines: a computational study.
is cites work of	wds:Q30654902-79E4240C-BD9F-4E85-8009-C34D568970ED wds:Q82418542-84282EA9-B9A9-47EA-A00F-40A7F82F7E1B wds:Q37314298-213078AB-4E80-4076-A7B4-CA0265E9DE86 wds:Q38815720-F6EF7069-54FD-4921-9444-9C0B04636E7E wds:Q53637602-D5B18F12-8C6D-4A13-817D-4C6DB5BA50E7 wds:Q38400932-ADA1E50A-6D55-40A6-8963-5D7CB5510BD9 wds:Q94562400-B4942A85-4CFC-467C-9D62-E50B6EA9A5AF wds:Q36469651-42FCA963-64A2-44A6-99DC-955BD9152194 wds:Q46804564-98A874FD-A239-49B6-8229-5A8321589CB1 wds:Q49073250-701974D6-6407-46A1-912D-7B13D304B9C0 wds:Q35585413-89EA7ABD-2770-421E-8933-E481A79291A0 wds:Q57351291-0BCA40E5-642D-465A-9DFA-A6FCB2C606A3

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