Impact sensitivity and crystal lattice compressibility/free space

Evaluation of electrostatic descriptors for predicting crystalline density

(2013) Betsy M. Rice et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toward a Physically Based Quantitative Modeling of Impact Sensitivities

(2013) Didier Mathieu   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen bonding and other σ-hole interactions: a perspective

(2013) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stress-induced activation of decomposition of organic explosives: a simple way to understand

(2012) Chaoyang Zhang   JOURNAL OF MOLECULAR MODELING

The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systems

(2012) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

Surface-Enhanced Decomposition Kinetics of Molecular Materials Illustrated with Cyclotetramethylene-tetranitramine

(2012) Onise Sharia et al.   Journal of Physical Chemistry C

Rapid Materials Degradation Induced by Surfaces and Voids: Ab Initio Modeling of β-Octatetramethylene Tetranitramine

(2012) Onise Sharia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sensitivity and the available free space per molecule in the unit cell

(2011) Miroslav Pospíšil et al.   JOURNAL OF MOLECULAR MODELING

Topological Analysis of the Molecular Charge Density and Impact Sensitivy Models of Energetic Molecules

(2011) Gilberto Anders et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The electrostatic potential: an overview

(2011) Jane S. Murray et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

A possible crystal volume factor in the impact sensitivities of some energetic compounds

(2009) Miroslav Pospíšil et al.   JOURNAL OF MOLECULAR MODELING

Links between surface electrostatic potentials of energetic molecules, impact sensitivities and C–NO2/N–NO2bond dissociation energies

(2009) Jane S. Murray et al.   MOLECULAR PHYSICS

An electrostatic interaction correction for improved crystal density prediction

(2009) Peter Politzer et al.   MOLECULAR PHYSICS

Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

(2008) Timothy Clark et al.   JOURNAL OF MOLECULAR MODELING

Relationship Between RDX Properties and Sensitivity

(2008) Ruth M. Doherty et al.   PROPELLANTS EXPLOSIVES PYROTECHNICS