Water dissociation on Cu (111): Effects of molecular orientation, rotation, and vibration on reactivity

Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation

(2012) B. Jiang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Quantum Effects in the Kinetics of H2O Dissociative Adsorption on Pt(111), Cu(111), Rh(111), and Ni(111)

(2010) Ernst D. German et al.   Journal of Physical Chemistry C

The Effect of Environment on the Reaction of Water on the Ceria(111) Surface: A DFT+U Study

(2010) Zongxian Yang et al.   Journal of Physical Chemistry C

Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu(111)

(2009) José L. C. Fajín et al.   JOURNAL OF CHEMICAL PHYSICS

Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect

(2009) Ashwani Kumar Tiwari et al.   PHYSICAL REVIEW LETTERS

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

(2009) C. Diaz et al.   SCIENCE

First-principles study of water on copper and noble metal (110) surfaces

(2008) Jun Ren et al.   PHYSICAL REVIEW B