About: The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface

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scientific article published on 01 April 2005

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у квітні 2005 (uk) im April 2005 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'abril de 2005 (ast) scientific article published on 01 April 2005 (en) գիտական հոդված հրատարակված 2005 թվականի ապրիլի 1-ին (hy)
publication date	wds:Q58819085-1557AB21-AFFC-4A95-AC21-560A4F95F619
publication date	2005-04-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58819085-EC2EF663-3DC3-4AA8-AA0B-C2E5F4241EE3
language of work or name	English
cites work	wds:Q58819085-0AAA3724-7490-46A5-9E24-BFC8CFC064E2 wds:Q58819085-17A4EF47-AFF9-4A13-8386-06DE32173B54 wds:Q58819085-1C15F66E-E2CE-47A4-BB55-5577347E0396 wds:Q58819085-2691D44D-B411-4E2C-AB76-E8C6B4045A21 wds:Q58819085-2FBB2195-FC00-42A7-99AA-9B8B21B1A6BC wds:Q58819085-4148AB43-CB8E-4339-AE26-E232F3788124 wds:Q58819085-492D1704-7080-4F5E-B424-C54334AA9156 wds:Q58819085-76F6BBD9-D40E-4E06-A562-13599EA5CF13 wds:Q58819085-917291F7-3CAE-464E-97E4-E89AAD0007B7 wds:Q58819085-9C949461-B9B2-4057-B7A2-3CA42CE06BB0 wds:Q58819085-A901E00F-7169-4421-9DEA-EE4DE06672D5 wds:Q58819085-C2EF207D-1959-48CC-BCE6-80A822EDA1A1 wds:Q58819085-D2EA728D-51C8-4F3E-98F6-1C758621B181 wds:Q58819085-D537A058-88CA-4853-961A-CBEEFEE70319 wds:Q58819085-EDCDBD5A-0DC3-4F37-A6B9-112C1E072B40 wds:Q58819085-F431A1D6-732E-4148-9A6F-5A7DFD7FDE0C
cites work	Interpolated variational transition‐state theory: Practical methods for estimating variational transition‐state properties and tunneling contributions to chemical reaction rates from electronic structure calculations Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Density-functional thermochemistry. III. The role of exact exchange Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis The Activated Complex in Chemical Reactions Ab initio reaction paths and direct dynamics calculations Quantum scattering calculations on chemical reactions Role of Steps inN2Activation on Ru(0001) Optimized calculations of reaction paths and reaction‐path functions for chemical reactions Application of the large-curvature tunneling approximation to polyatomic molecules: Abstraction of H or D by methyl radical A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions Vibrationally adiabatic models for reactive tunneling A general small-curvature approximation for transition-state-theory transmission coefficients Ab initiorate constants from hyperspherical quantum scattering: Application to H+CH4→H2+CH3 Quantum Theory of Chemical Reaction Dynamics Novel preparation of nanocrystalline magnesia-supported caesium-promoted ruthenium catalyst with high activity for ammonia synthesis
rdfs:label	The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru (nl) The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface (en)
skos:prefLabel	The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru (nl) The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface (en)
name	The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru (nl) The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface (en)
author	wds:Q58819085-98F2CD86-9971-48E4-949E-016B43D6C08D wds:Q58819085-DB9390BF-A54E-45F1-9AD6-33CAC26BBA7A
author	David Clary Christofer S. Tautermann
title	wds:Q58819085-B10CD705-237B-4E52-B9FE-02167F0B80C1
title	The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface (en)
page(s)	wds:Q58819085-14C70863-D2E6-4FAF-9494-7E28C8DFFDAC
page(s)	134702
instance of	wds:Q58819085-EDDAD6AB-8B91-45A4-B45E-B8266F8F6377
instance of	scholarly article
PubMed ID	wds:Q58819085-08629D1B-BD21-4A2D-B7F8-5EEB33369483
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/15847484
PubMed ID	15847484
published in	wds:Q58819085-32193498-3A65-4424-8889-5DFA68B8FAE2
published in	Journal of Chemical Physics
issue	wds:Q58819085-5D7C2153-6605-4628-889B-F58239EB0EBE
volume	wds:Q58819085-F5706710-F999-4DF2-8CEE-DA06E6CA059D
issue	13
volume	122
DOI	wds:Q58819085-DDD052A7-1003-4301-8617-BCC3DCBE0DB2
DOI	http://dx.doi.org/10.1063/1.1862612
DOI	10.1063/1.1862612
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58819085
is cites work of	Atom Tunneling in Chemistry Der Tunneleffekt von Atomen in der Chemie
is cites work of	wds:Q38779920-6DAD78F4-812C-431F-8859-30086856DCFC wds:Q56636680-5DD7371B-34D5-4B09-AAB6-31652CDB5F4B

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