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Physical Review Letters, ISSN 0031-9007, 2010, Volume 105, Issue 18, p. 188302
The Car-Parrinello molecular dynamics simulations were employed to investigate thermal decomposition of the solid nitromethane. It is found that it undergoes... 
PHYSICS, MULTIDISCIPLINARY | LIQUID NITROMETHANE
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2004, Volume 120, Issue 21, pp. 10146 - 10153
We report density functional molecular dynamic simulations to determine the early chemical events of hot (T=3000 K) and dense (rho=1.97 g/cm(3), V/V-0=0.68)... 
ACI ION | PSEUDOPOTENTIALS | SOLID NITROMETHANE | HIGH-PRESSURE | TEMPERATURE | SHOCKED NITROMETHANE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DECOMPOSITION | LIQUID NITROMETHANE | NEAT NITROMETHANE
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 02/2017, Volume 23, Issue 2, p. 62
Nitromethane (NM, CH NO ) is a widely studied energetic material, and its decomposition mechanism attracts great interest. In this work, bimolecular reactions... 
Reaction | Pyrolysis | Nitromethane
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 02/2015, Volume 10, Issue 2, pp. 334 - 337
Journal Article
KIDNEY INTERNATIONAL, ISSN 0085-2538, 11/2015, Volume 88, Issue 5, pp. 1205 - 1206
Journal Article
Combustion Science and Technology, ISSN 0010-2202, 02/2020, Volume 192, Issue 2, pp. 313 - 334
Ignition delay times of the nitromethane (NM)/O 2 /Ar mixtures were measured behind reflected shock waves in the temperature range of 1200-2000 K, pressures of... 
Ignition delay time | shock tube | kinetics | nitromethane
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2016, Volume 659, pp. 142 - 147
Nitromethane anion and nitromethane dimer, trimer, and hydrated cluster anions were studied by photoelectron spectroscopy. Vertical detachment energies,... 
Nitromethane clusters | Weak hydrogen bonds | Photoelectron imaging | Nitromethane anions | Photoelectron spectroscopy | Ion solvation | CH3NO2 | ORIENTED NITROMETHANE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CH3CN | CHEMISTRY, PHYSICAL | AUTODETACHMENT | DIPOLE | ELECTRON-TRANSFER | ATOMS | POTASSIUM | BINDING | VALENCE | Hydrogen | Bonds | Spectrum analysis
Journal Article
Organic Letters, ISSN 1523-7060, 12/2010, Volume 12, Issue 23, pp. 5450 - 5453
A series of squaramide-based organocatalysts were facilely synthesized and applied as hydrogen bonding organocatalysts in the enantioselective Michael addition... 
THIOLS | ASYMMETRIC CONJUGATE ADDITION | ALPHA,BETA-UNSATURATED KETONES | ACIDS | ENONES | CHEMISTRY, ORGANIC | DONORS | DERIVATIVES | NITROMETHANE | CATALYSTS
Journal Article
Tetrahedron, ISSN 0040-4020, 12/2014, Volume 70, Issue 51, pp. 9587 - 9591
A special kind of dispirocyclopentyl-3,3′-bisoxindoles, in which the two oxindole units exist at 1,2-positions of the newly formed cyclopentyl ring, were... 
Dispirocyclopentyl-3,3′-bisoxindole | Spirooxindole | Nitromethane | Cycloaddition | Diastereoselectivity | Nitromethane Cycloaddition | Tetrahedrons | Ethyl alcohol | Synthesis (chemistry) | Refluxing | Ethanol
Journal Article
Fuel, ISSN 0016-2361, 03/2020, Volume 263
A jet-stirred reactor was used to investigate the nitromethane pyrolysis and oxidation characteristics over the temperature range of 675–1250 K at atmospheric... 
Pyrolysis | Nitromethane | Jet-stirred reactor | Oxidation | Kinetic model analysis
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2020, Volume 213, pp. 184 - 193
Current nitromethane kinetic schemes do not fully capture the intermediate reaction states of deflagrating nitromethane, which is an explosive used in many... 
Flame structure | Nitromethane | Emission spectroscopy | Diffusion flame | Kinetic modeling
Journal Article
FUEL, ISSN 0016-2361, 12/2016, Volume 186, pp. 629 - 638
The ignition of nitromethane/O-2/N-2 mixtures was investigated via shock tube experiments in the temperature range 947-1333 K at reflected shock pressures near... 
BURNING VELOCITY | ENERGY & FUELS | CHEMILUMINESCENCE | GASEOUS NITROMETHANE | CELLULAR STRUCTURE | Modeling | THERMAL-DECOMPOSITION | SHOCK-WAVES | FLAME | Multistage ignition | MIXTURES | ENGINEERING, CHEMICAL | Nitromethane | IGNITION | DETONATION
Journal Article
Nature Physics, ISSN 1745-2473, 01/2008, Volume 4, Issue 1, pp. 72 - 76
Despite decades of research, the microscopic details and extreme states of matter found within a detonating high explosive have yet to be elucidated. Here we... 
TRANSITION | MOLECULAR-DYNAMICS | SOLID NITROMETHANE | STATES | AMORPHOUS-SILICON | PHYSICS, MULTIDISCIPLINARY | CHEMICAL-REACTION-ZONE | LIQUID NITROMETHANE | SIMULATIONS | Chemical reactions | Explosives | Simulation | Experiments | Metals | Physics
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 10/2016, Volume 120, Issue 40, pp. 22989 - 23000
Molecular dynamics (MD) simulations were used to study shock wave passage with normal incidence through the equilibrium interface between (100)-oriented... 
SOLID NITROMETHANE | REAXFF | MATERIALS SCIENCE, MULTIDISCIPLINARY | REACTIVE FORCE-FIELD | SENSITIVITY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | POLYMER BONDED EXPLOSIVES | LIQUID NITROMETHANE | DETONATION
Journal Article
Fuel, ISSN 0016-2361, 02/2020, Volume 261, p. 116349
The pyrolysis of nitromethane highly diluted in helium was studied in a plug flow reactor and in a jet-stirred reactor at 1.07 bar and over the temperature... 
Pyrolysis | Flow reactor | Jet-stirred reactor | Nitromethane | Oxidation | Kinetic modeling | FLAMES | MECHANISM | ENERGY & FUELS | ISOMERIZATION | GASEOUS NITROMETHANE | THERMAL-DECOMPOSITION | MIXTURES | ENGINEERING, CHEMICAL | DISSOCIATION | GAS-PHASE | DETONATION | or physical chemistry | Chemical engineering | Chemical Sciences | Theoretical and
Journal Article
Angewandte Chemie (International Edition), ISSN 1433-7851, 05/2013, Volume 52, Issue 21, pp. 5575 - 5579
The cupreidinium salt 1 catalyzes the highly enantioselective conjugate addition of nitromethane to [beta]-aryl-[beta]-trifluoromethyl aryl enones (2). The... 
Conjugates | Nitromethane | Aromatic compounds | Sieves
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 01/2017, Volume 9, Issue 2, pp. 1629 - 1634
Two lanthanide metal–organic frameworks (Ln-MOFs) with similar structures have been synthesized through objective synthesis. The two compounds are both 2-fold... 
Research | Nitromethane | Uncoordinated site | Sensor materials | Ln-MOFs | Fluorescence detection | WHITE-LIGHT | sensor materials | MOF | MATERIALS SCIENCE, MULTIDISCIPLINARY | fluorescence detection | NANOSCIENCE & NANOTECHNOLOGY | NITROAROMATIC EXPLOSIVES | Energy | FE3 | uncoordinated site | EMISSION | EXCHANGE | BASIC PYRIDYL SITES
Journal Article
Chemical Communications : Chem Comm, ISSN 1359-7345, 01/2018, Volume 54, Issue 77, pp. 10917 - 10920
Nitro allylic derivatives were converted into dienes through the elimination of the nitro group under basic treatment, in the presence of a palladium catalyst.... 
Nitromethane | Naphthalene | Nuclear magnetic resonance--NMR | Ketones | Palladium | Derivatives | Dienes
Journal Article
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