Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
出版年份 2013 全文链接
标题
Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 4, Pages 044708
出版商
AIP Publishing
发表日期
2013-01-26
DOI
10.1063/1.4776224
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Towards chemically accurate simulation of molecule–surface reactions
- (2012) Geert-Jan Kroes PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter ofD2Reacting on Cu(111)
- (2012) Francesco Nattino et al. PHYSICAL REVIEW LETTERS
- Competition between Electron and Phonon Excitations in the Scattering of Nitrogen Atoms and Molecules off Tungsten and Silver Metal Surfaces
- (2012) L. Martin-Gondre et al. PHYSICAL REVIEW LETTERS
- Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems
- (2011) Tapas Sahoo et al. JOURNAL OF PHYSICAL CHEMISTRY A
- M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics
- (2011) Roberto Peverati et al. Journal of Physical Chemistry Letters
- The effect of phonon modes on the H2(v, j)/D2(v, j)–Cu(1nn) scattering processes
- (2011) Tapas Sahoo et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dynamics on Six-Dimensional Potential Energy Surfaces for H2/Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE
- (2010) C. Díaz et al. Journal of Physical Chemistry C
- The sticking of H2(v= 1,J= 1) on Cu(100) measured using laser-induced thermal desorption
- (2010) Jonghyuk Kim et al. MOLECULAR PHYSICS
- Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface
- (2010) C. Díaz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper
- (2010) G.-J. Kroes et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights
- (2009) Jingjing Zheng et al. Journal of Chemical Theory and Computation
- Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)
- (2009) C. Diaz et al. SCIENCE
- Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface
- (2009) N. Shenvi et al. SCIENCE
- First principles calculations and experimental insight into methane steam reforming over transition metal catalysts
- (2008) G JONES et al. JOURNAL OF CATALYSIS
- Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces
- (2008) J. I. Juaristi et al. PHYSICAL REVIEW LETTERS
- Frontiers in Surface Scattering Simulations
- (2008) G.-J. Kroes SCIENCE
- Quantum Dynamics of Chemical Reactions
- (2008) D. C. Clary SCIENCE
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now