Catalytic applications of vanadium: a mechanistic perspective

RR Langeslay, DM Kaphan, CL Marshall… - Chemical …, 2018 - ACS Publications
The chemistry of vanadium has seen remarkable activity in the past 50 years. In the present
review, reactions catalyzed by homogeneous and supported vanadium complexes from …

Noncovalent interactions in metal complex catalysis

KT Mahmudov, AV Gurbanov, FI Guseinov… - Coordination Chemistry …, 2019 - Elsevier
Metal complex catalysis, in which coordination compounds are designed as catalysts for
chemical transformations employing noncovalent interactions, is emerging as a powerful …

Critical literature review of the kinetics for the oxidative dehydrogenation of propane over well-defined supported vanadium oxide catalysts

CA Carrero, R Schlögl, IE Wachs, R Schomaecker - ACS catalysis, 2014 - ACS Publications
Producing propene by the oxidative dehydrogenation of propane (ODH) has become an
attractive and feasible route for bridging the propene production-demand gap, either as a …

Oxidative dehydrogenation of ethane: common principles and mechanistic aspects

CA Gärtner, AC van Veen, JA Lercher - ChemCatChem, 2013 - Wiley Online Library
The increasing demand for light olefins and the changing nature of basic feedstock has
stimulated substantial research activity into the development of new process routes. Steam …

Selective activation of alkanes by gas-phase metal ions

J Roithova, D Schroder - Chemical reviews, 2010 - ACS Publications
The importance of the selective activation of alkanes for science and technology in the
forthcoming decades does not need to be explicitly pointed out in this thematic issue of …

Catalytic Oxidation of Light Alkanes (C1–C4) by Heteropoly Compounds

M Sun, J Zhang, P Putaj, V Caps, F Lefebvre… - Chemical …, 2014 - ACS Publications
Heteropoly compounds (HPC) occupy a singular position in the catalysis arena, for their
composition is akin to that of the many metal oxide-based catalysts used in heterogeneous …

The utility of coal molecular models

JP Mathews, ACT Van Duin, AL Chaffee - Fuel Processing Technology, 2011 - Elsevier
There are a large number (> 125) of molecular representations for coals that span the rank
range over seven decades. However, their utility has mostly been in representing chemical …

Methane Activation and Oxygen Vacancy Formation over CeO2 and Zr, Pd Substituted CeO2 Surfaces

AD Mayernick, MJ Janik - The Journal of Physical Chemistry C, 2008 - ACS Publications
The catalytic properties of CeO2 for hydrocarbon oxidation reactions have implications for a
variety of applications. Surface reduction and methane activation are key processes in the …

Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr2O3 Catalyst

YK Shin, H Kwak, AV Vasenkov, D Sengupta… - Acs …, 2015 - ACS Publications
We developed a ReaxFF force field for Fe/Cr/O/S, which is parametrized against data from
quantum mechanical (QM) calculations. Using this force field, we studied the Cr-oxide …

Size-dependent catalytic activity of supported vanadium oxide species: oxidative dehydrogenation of propane

X Rozanska, R Fortrie, J Sauer - Journal of the American …, 2014 - ACS Publications
Possible reaction pathways for the oxidative dehydrogenation of propane by vanadium
oxide catalysts supported on silica are examined by density functional theory. Monomeric …