Related references
Note: Only part of the references are listed.A first-principles study on the hydrogenation of acetone on HxMoO3 surface
Qiyun Pan et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)
Surface chemistry and reactivity of α-MoO3 toward methane: A SCAN-functional based DFT study
Tianyu Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Effect of composition and preparation of supported MoO3 catalysts for anisole hydrodeoxygenation
Chanakya Ranga et al.
CHEMICAL ENGINEERING JOURNAL (2018)
One Oxygen Vacancy, Two Charge States: Characterization of Reduced alpha-MoO3(010) through Theoretical Methods
Marcos Rellan-Pineiro et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Oxygen vacancies enhance pseudocapacitive charge storage properties of MoO3-x
Hyung-Seok Kim et al.
NATURE MATERIALS (2017)
Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO3 (010) Surface
Manish Shetty et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
Jianwei Sun et al.
NATURE CHEMISTRY (2016)
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
Haowei Peng et al.
PHYSICAL REVIEW X (2016)
Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride Solids
Niranjan V. Ilawe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Strongly Constrained and Appropriately Normed Semilocal Density Functional
Jianwei Sun et al.
PHYSICAL REVIEW LETTERS (2015)
First-principles study of van der Waals interactions in MoS2 and MoO3
H. Peelaers et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
Gap States Assisted MoO3 Nanobelt Photodetector with Wide Spectrum Response
Du Xiang et al.
SCIENTIFIC REPORTS (2014)
Nature of the Interfaces Between Stoichiometric and Under-Stoichiometric MoO3 and 4,4′'-N,N′-dicarbazole-biphenyl: A Combined Theoretical and Experimental Study
Theodoros A. Papadopoulos et al.
ADVANCED FUNCTIONAL MATERIALS (2013)
Effective hydrodeoxygenation of biomass-derived oxygenates into unsaturated hydrocarbons by MoO3 using low H2 pressures
Teerawit Prasomsri et al.
ENERGY & ENVIRONMENTAL SCIENCE (2013)
First-Principles Study of Hydrogenation of Ethylene on a HxMoO3(010) Surface
Ming Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Advancing density functional theory to finite temperatures: methods and applications in steel design
T. Hickel et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2012)
Are we van der Waals ready?
T. Bjorkman et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2012)
Density Functional Theory Study of Acetaldehyde Hydrodeoxygenation on MoO3
Donghai Mei et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Theoretical and Experimental Study of the Electronic Structures of MoO3 and MoO2
David O. Scanlon et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Experimental Vibrational Zero-Point Energies: Diatomic Molecules (vol 36, pg 389, 2007)
Karl K. Irikura
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2009)
Hydrogen Absorption and Diffusion in Bulk α-MoO3
Xianwei Sha et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
On the mechanisms of hydrogen spillover in MoO3
Liang Chen
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
A mechanistic study of hydrogen spillover in MoO3 and carbon-based graphitic materials
Liang Chen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Experimental vibrational zero-point energies: Diatomic molecules
Karl K. Irikura
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Hydrogen storage in low silica type X zeolites
Yingwei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Hydrogen storage in metal-organic frameworks by bridged hydrogen spillover
Yingwei Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Vapor-transportation preparation and reversible lithium intercalation/deintercalation of α-MoO3 microrods
WY Li et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method
A Heyden et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Concerning the structure of hydrogen molybdenum bronze phase III.: A combined theoretical -: experimental study
B Braïda et al.
CHEMISTRY OF MATERIALS (2005)
Gas sensing properties of MoO3 nanorods to CO and CH3OH
E Comini et al.
CHEMICAL PHYSICS LETTERS (2005)
The chemical nature of surface point defects on MoO3(010):: Adsorption of hydrogen and methyl
M Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Structure and adsorption properties of MoO3: insights from periodic density functional calculations
XL Yin et al.
JOURNAL OF MOLECULAR MODELING (2001)
A density functional theory study of site-specific methyl reaction on MoO3(010):: The effects of methyl coverage
M Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Catalytic properties of H-2-reduced MoO3 with noble metal for the conversions of heptane and propan-2-ol
F Uchijima et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)