Different catalytic behaviors of Pd and Pt metals in decalin dehydrogenation to naphthalene

Structural and Energetic Trends of Ethylene Hydrogenation over Transition Metal Surfaces

(2016) Christopher J. Heard et al.   Journal of Physical Chemistry C

Density Functional Theory Study for Catalytic Activation and Dissociation of CO2 on Bimetallic Alloy Surfaces

(2016) Jeonghyun Ko et al.   Journal of Physical Chemistry C

Universality in surface mixing rule of adsorption strength for small adsorbates on binary transition metal alloys

(2015) Jeonghyun Ko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular adsorption at Pt(111). How accurate are DFT functionals?

(2015) Sarah Gautier et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An overview of the kinetics and catalysis of hydrogen storage on organic liquids

(2013) Farnaz Sotoodeh et al.   CANADIAN JOURNAL OF CHEMICAL ENGINEERING

A density functional theory analysis of trends in glycerol decomposition on close-packed transition metal surfaces

(2013) Bin Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study

(2013) Maarten K. Sabbe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Analysis of H2 Release from Organic Polycyclics over Pd Catalysts Using DFT

(2012) Farnaz Sotoodeh et al.   Journal of Physical Chemistry C

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

(2012) Vassili Vorotnikov et al.   ACS Catalysis

A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

(2011) M. Salciccioli et al.   CHEMICAL ENGINEERING SCIENCE

Physisorption of cis- and trans-decalin on Pt4 clusters from density functional theory calculations

(2011) Shengping Yu et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang 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

Adsorption of tetralin and hydrogenated intermediates and products on the (100) surfaces of Ir, Pt and Pd: a DFT study

(2010) Xiang Li et al.   THEORETICAL CHEMISTRY ACCOUNTS

Dehydrogenation of cycloalkanes over noble metal catalysts supported on active carbon

(2009) Wataru Ninomiya et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Adsorption of Naphthalene and Quinoline on Pt, Pd and Rh: A DFT Study

(2008) Gianluca Santarossa et al.   CHEMPHYSCHEM

Hydrogen storage by decalin dehydrogenation/naphthalene hydrogenation pair over platinum catalysts supported on activated carbon

(2008) D. Sebastián et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Kinetic modeling of pure hydrogen production from decalin

(2007) B WANG et al.   JOURNAL OF CATALYSIS