MOLECULAR DYNAMIC SIMULATIONS OF SOLID NITROMETHANE UNDER HIGH PRESSURES

Density Functional Theory Calculations of Solid Nitromethane under Hydrostatic and Uniaxial Compressions with Empirical van der Waals Correction

(2009) M. W. Conroy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Dynamics Simulation of the Low-Temperature Partial Oxidation of CH4

(2009) Alister J. Page et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hydrogen bonding inND3probed by neutron diffraction to 24 GPa

(2009) S. Ninet et al.   PHYSICAL REVIEW B

High-pressure melting curve of hydrogen

(2008) Sergio M. Davis et al.   JOURNAL OF CHEMICAL PHYSICS

Predictions of melting, crystallization, and local atomic arrangements of aluminum clusters using a reactive force field

(2008) J. G. O. Ojwang’ et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Force Field for Solid Oxide Fuel Cell Systems with Application to Oxygen Ion Transport in Yttria-Stabilized Zirconia

(2008) Adri C. T. van Duin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Crystal Structure of Nitromethane up to the Reaction Threshold Pressure

(2008) Margherita Citroni et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Highly compressed ammonia forms an ionic crystal

(2008) Chris J. Pickard et al.   NATURE MATERIALS

Raman and infrared investigations at room temperature of the internal modes behaviour in solid nitromethane-h3 and -d3 up to 45 GPa

(2007) R. Ouillon et al.   JOURNAL OF RAMAN SPECTROSCOPY