Ceria-Based Solid Catalysts for Organic Chemistry
|
journal
|
May 2010 |
The surface chemistry of cerium oxide
|
journal
|
March 2015 |
Surface structure dependence of selective oxidation of ethanol on faceted CeO2 nanocrystals
|
journal
|
October 2013 |
Adsorption and Reaction of Acetaldehyde on Shape-Controlled CeO 2 Nanocrystals: Elucidation of Structure–Function Relationships
|
journal
|
June 2014 |
Variations in Reactivity on Different Crystallographic Orientations of Cerium Oxide
|
journal
|
July 2013 |
Oxygen Vacancy-Assisted Coupling and Enolization of Acetaldehyde on CeO 2 (111)
|
journal
|
October 2012 |
Condensation reactions of propanal over CexZr1−xO2 mixed oxide catalysts
|
journal
|
September 2010 |
Insights into the Ceria-Catalyzed Ketonization Reaction for Biofuels Applications
|
journal
|
February 2013 |
Distinguishing Enolic and Carbonyl Components in the Mechanism of Carboxylic Acid Ketonization on Monoclinic Zirconia
|
journal
|
July 2012 |
Ketonization of Carboxylic Acids in Biomass Conversion over TiO 2 and ZrO 2 Surfaces: A DFT Perspective
|
journal
|
July 2014 |
Ketonization of Carboxylic Acids: Mechanisms, Catalysts, and Implications for Biomass Conversion
|
journal
|
October 2013 |
Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation
|
journal
|
November 2011 |
Temperature evolution of structure and bonding of formic acid and formate on fully oxidized and highly reduced CeO2(111)
|
journal
|
January 2009 |
Ordered cerium oxide thin films grown on Ru(0001) and Ni(111)
|
journal
|
June 1999 |
Adsorption and reaction of methanol on thin-film cerium oxide
|
journal
|
April 2006 |
Reactions of methanol on W(100) and W(100)-(5 $times; 1)C surfaces
|
journal
|
April 1980 |
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
|
journal
|
September 1992 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
|
journal
|
July 1996 |
Ab initiomolecular dynamics for liquid metals
|
journal
|
January 1993 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
|
journal
|
May 1994 |
Comment on “Taming multiple valency with density functionals: A case study of defective ceria”
|
journal
|
December 2005 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
|
journal
|
January 1998 |
First-principles and study of cerium oxides: Dependence on the effective U parameter
|
journal
|
January 2007 |
Modeling of , , and in the formalism
|
journal
|
January 2007 |
From ultrasoft pseudopotentials to the projector augmented-wave method
|
journal
|
January 1999 |
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
|
journal
|
December 1992 |
Special points for Brillouin-zone integrations
|
journal
|
June 1976 |
An object-oriented scripting interface to a legacy electronic structure code
|
journal
|
January 2002 |
Infrared intensities and Raman-scattering activities within density-functional theory
|
journal
|
September 1996 |
Adsorption and reaction of H2O and CO on oxidized and reduced Rh/CeOx(111) surfaces
|
journal
|
June 2000 |
Adsorption and Reaction of Acetone over CeO x (111) Thin Films
|
journal
|
March 2009 |
Adsorption and Reaction of C 1 −C 3 Alcohols over CeO X (111) Thin Films
|
journal
|
July 2010 |
Fluorination effects on the inner-shell spectra of unsaturated molecules
|
journal
|
January 1988 |
Adsorption and reaction of formaldehyde on thin-film cerium oxide
|
journal
|
April 2006 |
Adsorption and Reaction of Acetaldehyde over CeO X (111) Thin Films
|
journal
|
February 2011 |
Density Functional Theory Study of Carboxylic Acids Adsorption and Enolization on Monoclinic Zirconia Surfaces
|
journal
|
July 2011 |
Acetaldehyde Adsorption and Reaction on CeO 2 (100) Thin Films
|
journal
|
July 2013 |
Ethylene Glycol Adsorption and Reaction over CeO X (111) Thin Films
|
journal
|
June 2011 |
Inner-shell spectroscopy of p-benzoquinone, hydroquinone, and phenol: distinguishing quinoid and benzenoid structures
|
journal
|
August 1992 |
Unfilled orbitals of C60 and C70 from carbon K-shell X-ray absorption fine structure
|
journal
|
August 1991 |
Structural studies of argon-sputtered amorphous carbon films by means of extended x-ray-absorption fine structure
|
journal
|
October 1988 |
NEXAFS investigations of transition metal oxides, nitrides, carbides, sulfides and other interstitial compounds
|
journal
|
January 1997 |
Electronic Structure of Cubic Refractory Carbides
|
journal
|
April 1971 |
Ideal gas thermodynamic properties of methanoic and ethanoic acids
|
journal
|
January 1978 |
Pathways for carboxylic acid decomposition on titania
|
journal
|
July 1988 |
Reaction of carboxylic acids on CeO2(111) and CeO2(100)
|
journal
|
September 1996 |
Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination
|
journal
|
October 1980 |
On the intermediates of the acetic acid reactions on oxides: an IR study
|
journal
|
October 1996 |
Selective Adsorption to Particular Crystal Faces of ZnO
|
journal
|
April 2012 |
Modeling the antisymmetric and symmetric stretching vibrational modes of aqueous carboxylate anions
|
journal
|
January 2015 |
Oxide-catalyzed conversion of acetic acid into acetone: an FTIR spectroscopic investigation
|
journal
|
March 2003 |
The formation of ketones and aldehydes from carboxylic acids, structure-activity relationship for two competitive reactions
|
journal
|
November 1995 |
Reactions of Carboxylic Acids on Oxides
|
journal
|
June 1997 |
Redox Pathways for HCOOH Decomposition over CeO 2 Surfaces
|
journal
|
June 2008 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
|
journal
|
October 2011 |