Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics

Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition

(2018) Zhongyue Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct Chemical Dynamics Simulations

(2017) Subha Pratihar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic insights into complete hydrogenation of 1,3-butadiene over Pt/SiO2: effect of Pt dispersion and kinetic analysis

(2017) Chaoquan Hu et al.   Catalysis Science & Technology

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

Single-Atom Pd1/Graphene Catalyst Achieved by Atomic Layer Deposition: Remarkable Performance in Selective Hydrogenation of 1,3-Butadiene

(2015) Huan Yan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit

(2015) Felicia R. Lucci et al.   Nature Communications

Precisely Controlled Porous Alumina Overcoating on Pd Catalyst by Atomic Layer Deposition: Enhanced Selectivity and Durability in Hydrogenation of 1,3-Butadiene

(2015) Hong Yi et al.   ACS Catalysis

Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations

(2014) Bo Yang et al.   Journal of Physical Chemistry C

Vibrationally Promoted Dissociation of Water on Ni(111)

(2014) P. M. Hundt et al.   SCIENCE

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dynamics, transition states, and timing of bond formation in Diels-Alder reactions

(2012) K. Black et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atomically Dispersed Supported Metal Catalysts

(2012) Maria Flytzani-Stephanopoulos et al.   Annual Review of Chemical and Biomolecular Engineering

Do we fully understand what controls chemical selectivity?

(2011) Julia Rehbein et al.   PHYSICAL CHEMISTRY 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

Unusual Selectivity of Gold Catalysts for Hydrogenation of 1,3-Butadiene toward cis-2-Butene: A Joint Experimental and Theoretical Investigation

(2010) Xiao-Feng Yang et al.   Journal of Physical Chemistry C

Bond-Selective Control of a Heterogeneously Catalyzed Reaction

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