Understanding the solubility of triamino-trinitrobenzene in hydrous tetramethylammonium fluoride: a first principles molecular dynamics simulation study

Proton Transport in Triflic Acid Pentahydrate Studied via Ab Initio Path Integral Molecular Dynamics

(2011) Robin L. Hayes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermodynamic, Structural and Transport Properties of Tetramethyl Ammonium Fluoride: First Principles Molecular Dynamics Simulations of an Unusual Ionic Liquid

(2010) Bhabani S. Mallik et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

(2009) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria

(2008) Neeraj Rai et al.   JOURNAL OF CHEMICAL PHYSICS

HCl Hydrates as Model Systems for Protonated Water

(2008) V. Buch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate–DMSO co-solvent system

(2008) T. Yong-Jin Han et al.   NEW JOURNAL OF CHEMISTRY

Solvent screening for a hard-to-dissolve molecular crystal

(2008) A. Maiti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS