Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate global potential energy surface

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

(2015) Bin Jiang et al.   PHYSICAL REVIEW LETTERS

The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made Simple

(2014) Hua Guo et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions

(2014) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Six-dimensional quantum dynamics for dissociative chemisorption of H2 and D2 on Ag(111) on a permutation invariant potential energy surface

(2014) Bin Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrationally Promoted Dissociation of Water on Ni(111)

(2014) P. M. Hundt et al.   SCIENCE

Structure sensitivity of CO methanation on Co (0001), and surfaces: Density functional theory calculations

(2013) Jin-Xun Liu et al.   CATALYSIS TODAY

Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment

(2013) L. Sementa et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

(2013) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation invariant polynomial neural network approach to fitting potential energy surfaces

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Mode and Bond Selectivities in Methane Dissociative Chemisorption: Quasi-Classical Trajectory Studies on Twelve-Dimensional Potential Energy Surface

(2013) Bin Jiang et al.   Journal of Physical Chemistry C

Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions

(2013) Bin Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interaction of Hydrogen with a Cobalt(0001) Surface

(2013) Zita Huesges et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Mode selectivity in methane dissociative chemisorption on Ni(111)

(2013) Bin Jiang et al.   Chemical Science

Dissociative Hydrogen Adsorption on Close-Packed Cobalt Nanoparticle Surfaces

(2012) Emily A. Lewis et al.   Journal of Physical Chemistry C

Non-adiabatic effects during the dissociative adsorption of O2at Ag(111)? A first-principles divide and conquer study

(2012) Itziar Goikoetxea et al.   NEW JOURNAL OF PHYSICS

Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study

(2012) Peter Ferrin et al.   SURFACE SCIENCE

Hydrogen Adsorption on Co Surfaces: A Density Functional Theory and Temperature Programmed Desorption Study

(2012) Pieter van Helden et al.   ACS Catalysis

Surface Chemistry of C2H4, CO, and H2 on Clean and Graphite Carbon-Modified Co(0001) Surfaces

(2011) Lingshun Xu et al.   Journal of Physical Chemistry C

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

The sticking probability for H2 on some transition metals at a hydrogen pressure of 1bar

(2008) M. Johansson et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen superstructures on Co nanoislands and Cu(111)

(2008) M. Sicot et al.   SURFACE SCIENCE

The sticking probability for H2 in presence of CO on some transition metals at a hydrogen pressure of 1bar

(2008) M. Johansson et al.   SURFACE SCIENCE