About: DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties

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About: DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties Goto Sponge NotDistinct Permalink

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scientific article published on 30 May 2006

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у 2006 (uk) article scientifique publié en 2006 (fr) im Januar 2006 veröffentlichter wissenschaftlicher Artikel (de) scientific article published on 30 May 2006 (en) artículu científicu espublizáu en mayu de 2006 (ast)
publication date	wds:Q57400223-226E0D13-F43B-42BC-8FF8-8A6F64300CE7
publication date	2006-05-30 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57400223-DF8A32C5-4551-4913-A2D5-7B593BA6BA87
language of work or name	English
cites work	wds:Q57400223-15A43A7F-24F8-4171-AB9F-631F300B471A wds:Q57400223-3CC1F30C-8F30-4EC7-A1BE-0AAB9B5A5AC2 wds:Q57400223-53080375-0E88-4825-9990-8CBD329F2A14 wds:Q57400223-5CBDD12A-C0F5-4450-A1AE-DC1D9F31A566 wds:Q57400223-6FAC152E-EDD3-4521-AA64-8AA7E08F1149 wds:Q57400223-7E765D83-AB65-474E-84D8-7E9305E7D774 wds:Q57400223-893933CB-FB44-47E6-8E19-3CD43EBE9938 wds:Q57400223-8A2A26C9-FE08-4A18-8328-850169882F3B wds:Q57400223-A39DD857-FCD7-4FBB-8D57-5021C5FD1FC5 wds:Q57400223-A893F9B2-2B0C-4973-B914-883A31F4EF8E wds:Q57400223-AB0934E8-637D-45D6-A04C-6C28DB72CD83 wds:Q57400223-D17345C2-C422-440B-A9D4-236A2A231C70 wds:Q57400223-D4D1C47F-10C8-4CD1-9150-97605CD755D1 wds:Q57400223-DCDDAD9A-7372-4A51-961E-56933765FBC8 wds:Q57400223-FD159135-D8B5-4584-97F5-A33E781D8611
cites work	Accurate and simple analytic representation of the electron-gas correlation energy Density-functional thermochemistry. III. The role of exact exchange A quantum theory of molecular structure and its applications Valency and Bonding Synthesis of molybdenum imido alkylidene complexes and some reactions involving acyclic olefins Surface versus Molecular Siloxy Ligands in Well-Defined Olefin Metathesis Catalysts: [{(RO)3SiO}Mo(NAr)(CHtBu)(CH2tBu)] Living ring-opening metathesis polymerization of 2,3-difunctionalized norbornadienes by Mo(:CHBu-tert)(:NC6H3Pr-iso2-2,6)(OBu-tert)2 A new approach to the formal classification of covalent compounds of the elements Perhydrocarbyl ReVII complexes: comparison of molecular and surface complexes The density functional calculation of nuclear shielding constants using London atomic orbitals Synthesis, structures, and DFT bonding analysis of new titanium hydrazido(2-) complexes DFT calculations of NMR JC–H coupling constants: An additional tool to characterize the α-agostic interaction in high oxidation state M-alkylidene complexes (M=Re, Mo and Ta) Understanding Structural and Dynamic Properties of Well-Defined Rhenium-Based Olefin Metathesis Catalysts, Re(⋮CR)(CHR)(X)(Y), from DFT and QM/MM Calculations Computational and Experimental Test of Steric Influence on Agostic Interactions: A Homologous Series for Ir(III) Factors favoring an M...H-C interaction in metal-methyl complexes. An MO analysis
rdfs:label	DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (en) DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (nl)
skos:prefLabel	DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (en) DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (nl)
name	DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (en) DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (nl)
author	wds:Q57400223-1D308B54-3C50-4058-AB6E-0EB46EAA1DEB wds:Q57400223-239AD2F9-E26A-4B38-A07B-18882BF68821 wds:Q57400223-3F0051F7-DCDB-4CCC-9600-B5FDD1D31987 wds:Q57400223-6F3D7495-98AB-4572-A39A-19A449B8139E wds:Q57400223-B925F6D6-F720-4D21-8AB2-BE75E7E62A7B
author	Odile Eisenstein Eric Clot Albert Poater Christophe Copéret Xavier Solans-Monfort
title	wds:Q57400223-93581658-CA01-47E1-98AF-F5292FD41D07
title	DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr-C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties (en)
page(s)	wds:Q57400223-6FB08273-BA66-4806-A6EC-4E94FD9B24BC
page(s)	3077-3087
instance of	wds:Q57400223-C2E0838B-1CDC-40B9-90FF-831C0561486B
instance of	scholarly article
PubMed ID	wds:Q57400223-510F7ED7-25BC-4DB0-8479-B6FC3AD6BD01
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/16786066
PubMed ID	16786066
published in	wds:Q57400223-5734A4DF-D5E4-44A4-8AB0-AF2C64488ECD
published in	Dalton Transactions
issue	wds:Q57400223-09EEB6EC-A5AD-4B26-BE92-2D6A51017024
issue	25
DOI	wds:Q57400223-FF3955F3-4464-44A3-A7E0-D6BAF6E6399A
DOI	http://dx.doi.org/10.1039/B604481F
DOI	10.1039/B604481F
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57400223
is cites work of	Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes Recent advances in high oxidation state Mo and W imido alkylidene chemistry Fundamental studies of tungsten alkylidene imido monoalkoxidepyrrolide complexes. Direct observation of reaction intermediates for a well defined heterogeneous alkene metathesis catalyst Grafting mechanism and olefin metathesis activity of well-defined silica-supported Mo imido alkyl alkylidene complexes In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes. The activity of indenylidene derivatives in olefin metathesis catalysts Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds. Hypercoordinate β-carbon in Grubbs and Schrock olefin metathesis metallacycles Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent. Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis. DFT study on the reaction mechanism of the ring closing enyne metathesis (RCEYM) catalyzed by molybdenum alkylidene complexes.
is cites work of	wds:Q59798289-BEC95F22-F403-41EB-8E5F-6BD6F4DCDBB3 wds:Q50239533-76B73F43-67C6-4885-94E1-4184FC0FEF7F wds:Q57612572-8574A52A-CA44-42E0-9420-CAEC37068DC2 wds:Q52314825-348F6023-378A-4A53-AF1B-5AE9AB961A37 wds:Q40514681-7DD3148B-459D-4598-B34D-94DF0DA58A44 wds:Q37202254-A8B4E920-A6A1-4545-9F78-BCA5EE5F56FD wds:Q45986176-9B0C3C81-EF78-492A-B63D-10F022F34770 wds:Q30397757-C9CA045C-6715-44A2-A290-E19CB46ED16F wds:Q46601225-156C0829-389C-49F7-A5D9-FF772B2EC271 wds:Q46936981-9634A487-326F-4388-9DD2-FBD4E5861E5C wds:Q37305257-4455E4A8-74DF-40D5-B025-5143A46666A1 wds:Q49169360-9F331886-76DC-455E-9772-49B46AC045A8

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