Published in J Chem Phys on June 01, 2004
On the accuracy of force fields for predicting the physical properties of dimethylnitramine. J Phys Chem B (2006) 1.39
Role of Sertoli cell number and function on regulation of spermatogenesis. Anim Reprod Sci (2007) 0.95
First-principles calculations of the adsorption of nitromethane and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the alpha-Al2O3(0001) surface. J Phys Chem B (2005) 0.92
Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined Sorescu-Rice-Thompson AMBER force field. J Phys Chem B (2006) 0.90
Molecular dynamics simulations of the melting of aluminum nanoparticles. J Phys Chem A (2006) 0.85
Application of interpolating moving least squares fitting to hypervelocity collision dynamics: O(3P) + HCl. J Phys Chem A (2009) 0.84
Extended voucher-based reinforcement therapy for long-term drug abstinence. Am J Health Behav (2010) 0.84
Molecular dynamics simulations of melting of perfect crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine. J Chem Phys (2006) 0.83
Theoretical predictions of the initial decomposition steps of dimethylnitramine. J Chem Phys (2005) 0.81
Shock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating. J Chem Phys (2009) 0.80
Molecular dynamics studies of melting and solid-state transitions of ammonium nitrate. J Chem Phys (2004) 0.80
Molecular dynamics study of the crystallization of nitromethane from the melt. J Chem Phys (2010) 0.80
Molecular dynamics simulations of surface-initiated melting of nitromethane. J Chem Phys (2006) 0.79
Effects of oral administration of levothyroxine sodium on serum concentrations of thyroid gland hormones and responses to injections of thyrotropin-releasing hormone in healthy adult mares. Am J Vet Res (2005) 0.79
Shock-induced melting of (100)-oriented nitromethane: structural relaxation. J Chem Phys (2009) 0.75
Simulations of the solid, liquid, and melting of 1-n-butyl-4-amino-1,2,4-triazolium bromide. J Phys Chem B (2005) 0.75
Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects. J Chem Phys (2012) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system. J Chem Phys (2004) 0.75
Molecular dynamics simulations of the melting mechanisms of perfect and imperfect crystals of dimethylnitramine. J Phys Chem B (2007) 0.75
Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function. J Chem Phys (2004) 0.75
Molecular dynamics simulations of p-tert-butylcalix[4]arene with small guest molecules. Chemistry (2006) 0.75
A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2. J Chem Phys (2013) 0.75
A molecular dynamics study of classical vibrational spectra in hydrostatically compressed crystalline nitromethane. J Phys Chem B (2010) 0.75
A classical trajectory study of the dissociation and isomerization of C2H5. J Phys Chem A (2013) 0.75
Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces. J Phys Chem A (2009) 0.75
Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine. J Phys Chem B (2006) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction. J Chem Phys (2007) 0.75
Molecular dynamics simulations of the oxidation of aluminum nanoparticles. J Phys Chem B (2005) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants. J Chem Phys (2007) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations. J Chem Phys (2004) 0.75
Interpolating moving least-squares methods for fitting potential-energy surfaces: further improvement of efficiency via cutoff strategies. J Chem Phys (2006) 0.75
Urea and urea nitrate decomposition pathways: a quantum chemistry study. J Phys Chem A (2006) 0.75
Post-shock relaxation in crystalline nitromethane. J Chem Phys (2013) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space. J Chem Phys (2009) 0.75
Molecular dynamics simulations of shock waves in oriented nitromethane single crystals. J Chem Phys (2011) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points. J Chem Phys (2007) 0.75
Molecular dynamics simulations of melting and the glass transition of nitromethane. J Chem Phys (2006) 0.75
Molecular dynamics study of the pressure-dependent terahertz infrared absorption spectrum of α- and γ-RDX. J Chem Phys (2013) 0.75
On combining molecular dynamics and stochastic dynamics simulations to compute reaction rates in liquids. J Chem Phys (2004) 0.75
Reproduction in high body condition mares with high versus low leptin concentrations. Theriogenology (2006) 0.75
Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions. J Chem Phys (2008) 0.75
Molecular dynamics studies of melting and some liquid-state properties of 1-ethyl-3-methylimidazolium hexafluorophosphate [emim][PF6]. J Chem Phys (2005) 0.75