Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
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Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2 + Ru(0001).Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).Vibrational Excitation of H2 Scattering from Cu(111): Effects of Surface Temperature and of Allowing Energy Exchange with the Surface.Quantum state resolved molecular beam reflectivity measurements: CH4 dissociation on Pt(111).HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional.The dissociative chemisorption of CO2 on Ni(100): A quantum dynamics study.Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces.Rotational and steric effects in water dissociative chemisorption on Ni(111).Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface.Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study.Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site.Water dissociation on Ni(100), Ni(110), and Ni(111) surfaces: Reaction path approach to mode selectivity.Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence.Electron-hole pair effects in methane dissociative chemisorption on Ni(111).Towards an accurate specific reaction parameter density functional for water dissociation on Ni(111): RPBE versus PW91.Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)Test of the Transferability of the Specific Reaction Parameter Functional for H + Cu(111) to D + Ag(111)Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N on Ru(0001)
P2860
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P2860
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
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2016 nî lūn-bûn
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2016 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի հուլիսին հրատարակված գիտական հոդված
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年學術文章
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name
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@ast
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@en
type
label
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@ast
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@en
prefLabel
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@ast
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@en
P2093
P2860
P3181
P1476
Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
@en
P2093
Arthur L Utz
Daniel R Killelea
Davide Migliorini
Eric A High
Eric Dombrowski
Francesco Nattino
Geert-Jan Kroes
P2860
P304
P3181
P356
10.1021/ACS.JPCLETT.6B01022
P407
P577
2016-07-07T00:00:00Z