Related references
Note: Only part of the references are listed.Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface
Jin Qian et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis
Qi An et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
The Mechanism of Alkane Selective Oxidation by the M1 Phase of Mo-V-Nb-Te Mixed Metal Oxides: Suggestions for Improved Catalysts
Mu-Jeng Cheng et al.
TOPICS IN CATALYSIS (2016)
Reaction Mechanism for Ammonia Activation in the Selective Ammoxidation of Propene on Bismuth Molybdates
Sanja Pudar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
In Silico Design of Highly Selective Mo-V-Te-Nb-O Mixed Metal Oxide Catalysts for Ammoxidation and Oxidative Dehydrogenation of Propane and Ethane
Mu-Jeng Cheng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Structures, Mechanisms, and Kinetics of Ammoxidation and Selective Oxidation of Propane Over the M2 Phase of MoVNbTeO Catalysts
William A. Goddard et al.
TOPICS IN CATALYSIS (2011)
Mechanism of Selective Ammoxidation of Propene to Acrylonitrile on Bismuth Molybdates from Quantum Mechanical Calculations
Sanja Pudar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Structures, Mechanisms, and Kinetics of Selective Ammoxidation and Oxidation of Propane over Multi-metal Oxide Catalysts
William A. Goddard et al.
TOPICS IN CATALYSIS (2008)
Mechanism of selective oxidation of propene to acrolein on bismuth molybdates from quantum mechanical calculations
Sanja Pudar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoOx
William A. Goddard et al.
TOPICS IN CATALYSIS (2006)
Mechanism of selective oxidation and ammoxidation of propene on bismuth molybdates from DFT calculations on model clusters
YH Jang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Selective oxidation and ammoxidation of propene on bismuth molybdates, ab initio calculations
YH Jang et al.
TOPICS IN CATALYSIS (2001)