Vibration-driven reaction of CO2 on Cu surfaces via Eley–Rideal-type mechanism

CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies

(2017) Fahdzi Muttaqien et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Control of Bimolecular Reactions with Methane by Mode, Bond, and Stereo Selectivity

(2016) Kopin Liu   Annual Review of Physical Chemistry

Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

(2016) S. Casolo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bio-inspired mechanistic insights into CO2 reduction

(2015) Bhaskar Mondal et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Catalyst Control of Selectivity in CO2 Reduction Using a Tunable Heterobimetallic Effect

(2015) Sharareh Bagherzadeh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces

(2014) Fahdzi Muttaqien   JOURNAL OF CHEMICAL PHYSICS

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

Eley-Rideal Reactions with N Atoms at Ru(0001): Formation of NO andN2

(2014) Teodor Zaharia et al.   PHYSICAL REVIEW LETTERS

Vibrationally Promoted Dissociation of Water on Ni(111)

(2014) P. M. Hundt et al.   SCIENCE

A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications

(2012) Jun Wu et al.   JOURNAL OF CHEMICAL PHYSICS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

State-resolved probes of methane dissociation dynamics

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

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)

(2009) C. Diaz et al.   SCIENCE