Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity

(2016) Bin Jiang et al.   CHEMICAL SOCIETY REVIEWS

A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging

(2016) Tianhui Liu et al.   Chemical Science

Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method

(2015) Xiangjian Shen et al.   JOURNAL OF CHEMICAL PHYSICS

Site-specific dissociation dynamics of H2/D2 on Ag(111) and Co(0001) and the validity of the site-averaging model

(2015) Xixi Hu et al.   JOURNAL OF CHEMICAL PHYSICS

CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion

(2015) Xiangjian Shen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics of Water Dissociative Chemisorption on Ni(111): Effects of Impact Sites and Incident Angles

(2015) Bin Jiang et al.   PHYSICAL REVIEW LETTERS

Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

(2015) A. Lozano et al.   SURFACE SCIENCE

Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

(2014) Bret Jackson et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of reagent rotational excitation on the H + CHD3 → H2 + CD3 reaction: A seven dimensional time-dependent wave packet study

(2014) Zhaojun Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Accuracy of the centrifugal sudden approximation in the H + CHD3 → H2 + CD3 reaction

(2014) Zhaojun Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface

(2014) Tianhui Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Specific Chemistry and the Effects of Lattice Motion

(2014) Sven Nave et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction

(2014) Francesco Nattino et al.   Journal of Physical Chemistry Letters

Towards Bond Selective Chemistry from First Principles: Methane on Metal Surfaces

(2014) X. J. Shen et al.   PHYSICAL REVIEW LETTERS

Mode selectivity in methane dissociative chemisorption on Ni(111)

(2013) Bin Jiang et al.   Chemical Science

Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration

(2010) G. P. Krishnamohan et al.   JOURNAL OF CHEMICAL PHYSICS

Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1×2): Energetic study

(2010) Sven Nave et al.   JOURNAL OF CHEMICAL PHYSICS

The temperature dependence of methane dissociation on Ni(111) and Pt(111): Mixed quantum-classical studies of the lattice response

(2010) Ashwani Kumar Tiwari et al.   JOURNAL OF CHEMICAL PHYSICS

Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH4 on Ni(111): a 15 dimensional study

(2010) Krishnamohan G. Prasanna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational mode-selective chemistry: Methane dissociation on Ni(100)

(2010) Sven Nave et al.   PHYSICAL REVIEW B

State-resolved probes of methane dissociation dynamics

(2009) L.B.F. Juurlink et al.   PROGRESS IN SURFACE SCIENCE

Bond-Selective Control of a Heterogeneously Catalyzed Reaction

(2008) D. R. Killelea et al.   SCIENCE