Insight into the general rule for the activation of the X–H bonds (X = C, N, O, S) induced by chemisorbed oxygen atoms

Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

(2011) Glenn Jones et al.   CHEMICAL ENGINEERING SCIENCE

C–H bond activation of methane on clean and oxygen pre-covered metals: A systematic theoretical study

(2011) Bin Xing et al.   JOURNAL OF CATALYSIS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Reactivity of Chemisorbed Oxygen Atoms and Their Catalytic Consequences during CH4–O2Catalysis on Supported Pt Clusters

(2011) Ya-Huei(Cathy) Chin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dehydrogenation of propane over ZnMOR. Static and dynamic reaction energy diagram

(2010) L. Benco et al.   JOURNAL OF CATALYSIS

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Surface Science Investigations of Oxidative Chemistry on Gold

(2009) Jinlong Gong et al.   ACCOUNTS OF CHEMICAL RESEARCH

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

(2009) Rutger A. van Santen et al.   CHEMICAL REVIEWS

Dissociation of water on oxygen-covered Rh{111}

(2009) A. Shavorskiy et al.   JOURNAL OF CHEMICAL PHYSICS

Methane combustion on Pd-based model catalysts: Structure sensitive or insensitive?

(2009) Cun-Qin Lv et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation the active site of methane dissociation on Ni-based catalysts: A first-principles analysis

(2009) Bin Xing et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Complementary Structure Sensitive and Insensitive Catalytic Relationships

(2008) Rutger A. Van Santen   ACCOUNTS OF CHEMICAL RESEARCH

C–H bond activation over metal oxides: A new insight into the dissociation kinetics from density functional theory

(2008) Hui-Ying Li et al.   JOURNAL OF CHEMICAL PHYSICS