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Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2017, Volume 19, Issue 25, pp. 16433 - 16445
In spite of its importance in the Hg atmospheric chemistry, the dynamics of the Hg + Br2 arrow right HgBr + Br reaction is poorly understood. In this article,... 
Exchange | Endothermic reactions | Dynamics | Mathematical analysis | Insertion | Molecular beams | Reaction mechanisms | Energy of dissociation
Journal Article
Applied Catalysis A, General, ISSN 0926-860X, 03/2015, Volume 494, pp. 48 - 56
In the present work the NCO formation from N and CO species is theoretically studied using a computational method based on density functional theory (DFT) and... 
Isocyanate formation | Chemisorption | DFT | NO + CO | Palladium catalyst | Isocyanates | Military leaders | Palladium | Palladium catalysts | Thermodynamics | Analysis | Density functionals | Electronic structure | Endothermic reactions | Density functional theory | Formations | Carbon monoxide | Charge distribution | Displacement
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 05/2016, Volume 144, Issue 18, p. 184309
Kinetic energy dependent reactions of Th+ with O2 and CO are studied using a guided ion beam tandem mass spectrometer. The formation of ThO+ in the reaction of... 
Transition metals | Uncertainty | Quantum chemistry | Endothermic reactions | Cyclotron resonance | Congeners | Chemical reactions | Ion beams | Organic chemistry | Exothermic reactions | Density functional theory | Mathematical models | Cations | Iterative methods | Kinetic energy | Thorium | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 11/2016, Volume 145, Issue 19, p. 194305
Journal Article
Catalysis Today, ISSN 0920-5861, 09/2014, Volume 232, pp. 63 - 68
Catalytic endothermic reactions of -tetrahydrodicyclopentadiene ( -THDCP) with different zeolites were investigated in a batch reactor to increase the heat of... 
Endothermic reaction | Heat of reaction | Zeolites | Heat of absorption | Exo-tetrahydrodicyclopentadiene | CYCLOALKANES | CRACKING | MECHANISM | CHEMISTRY, PHYSICAL | THERMAL-DECOMPOSITION | ENGINEERING, CHEMICAL | HYDROGEN | JP-10 | METHYLCYCLOHEXANE | SINK CAPACITY | CHEMISTRY, APPLIED | Olefins
Journal Article
Journal Article
Fuel, ISSN 0016-2361, 10/2017, Volume 206, p. 572
Primary devolatilization and the exothermic heterogeneous secondary charring of the primary volatiles need to be described in a consistent manner in order to... 
Pyrolysis | Endothermic reactions | Enthalpy | Chemical reactions | Devolatilization | Biomass | Volatiles | Studies | Heat | Calorific value | Beech | Exothermic reactions | Evolution | Mathematical models | Heat of reaction | Heat transfer | Charring
Journal Article
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, ISSN 1089-5639, 02/2017, Volume 121, Issue 5, pp. 1140 - 1144
Thermochemical data are used to show that, of the 89.9 kcal/mol difference between the endothermicity of H sub(2) addition to N sub(2) ( Delta H = 47.9... 
Spectroscopy | Endothermic reactions | Physical chemistry | Exothermic reactions | Bonding strength | Bonding | Hydrogenation | Acetylene
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 02/2017, Volume 121, Issue 5, pp. 1032 - 1040
High-accuracy calculations were performed to study the mechanisms of the reactions between the diatomic silicon monoxide (SiO) with NH3 and CH4. These... 
SILYLENE | ACTIVATION | COMPLEX | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | SIO | CHEMISTRY | CHEMISTRY, PHYSICAL | SPECTRUM | ELECTRONIC STATES | ATOM | MOLECULES | Methane | Silicon compounds | Ammonia | Usage | Density functionals | Chemical reactions | Chemical properties | Dehydrogenation | Endothermic reactions | Barriers | Chemical bonds | Silicon | Channels | Silicon dioxide
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2019, Volume 150, Issue 14, p. 144309
The exothermicity of the chemi-ionization reaction, Nd + O → NdO+ + e−, has been indirectly determined by measuring the thermochemistry for reactions of the... 
Thermochemistry | Neodymium | Endothermic reactions | Energy measurement | Carbon dioxide | Ions | Ion beams | Organic chemistry | Mathematical analysis | Ionization | Exothermic reactions | Cations | Cascade chemical reactions | Kinetic energy | Mass spectrometry | Cross sections | Carbonyls
Journal Article
Journal of Materials Chemistry. A, Materials for Energy and Sustainability, ISSN 2050-7488, 01/2018, Volume 6, Issue 12, pp. 5082 - 5097
Temperature induced instability is an important issue in developing new molecules and materials, but there is no clear understanding about how the molecular... 
Temperature | Detonation | Molecular structure | Endothermic reactions | Decomposition reactions | Molecular dynamics | Decomposition | PETN | Quantum physics | Intermediates | Analogs | Sensitivity | Energy | Correlation analysis | Quantum mechanics | Exothermic reactions | Computer applications | Dynamic stability | Energetic materials | Silicon | Reaction mechanisms | Bonding | Crystal structure
Journal Article
Energy and Fuels, ISSN 0887-0624, 07/2015, Volume 29, Issue 7, pp. 4137 - 4149
Regenerative cooling of the high-temperature components in propulsion and power-generation systems plays a paramount role in maintaining the reliability and... 
ENGINEERING, CHEMICAL | TRANSPORT-PROPERTIES | ENERGY & FUELS | NORMAL-ALKANES | ENDOTHERMIC HYDROCARBON FUEL | HYDROGEN STREAMS | REACTION-MECHANISMS | VAPORIZATION | N-DECANE | PRODUCT DISTRIBUTIONS | THERMAL-CRACKING | PROPULSION
Journal Article