JANUARY 1, 1998 Journal Article An Examination of Intrinsic Errors in Electronic Structure Methods Using the Environmental Molecular Sciences Laboratory Computational Results Database and the Gaussian-2 Set ( Read More )
DECEMBER 15, 1997 Journal Article Ar-C2H2: A Challenging System for ab initio Calculations ( Read More )
DECEMBER 4, 1997 Journal Article Accurate Calculations of the Electron Affinity and Ionization Potential of the Methyl Radical ( Read More )
DECEMBER 4, 1997 Journal Article Ion Solvation in Polarizable Chloroform: A Molecular Dynamics Study ( Read More )
DECEMBER 1, 1997 Journal Article Improvements for Measuring 1H-1H Coupling Constants in DNA Via New Stripe-COSY and Superstripe-COSY Pulse Sequences Combined with a Novel Strategy of Selective Deuteration. ( Read More )
DECEMBER 1, 1997 Journal Article Comparison of Mixture Models and Free Energy of Hydration Models for Waste Glass Releases ( Read More )
DECEMBER 1, 1997 Journal Article Application of the Carreau Model to Tape-Casting Fluid Mechanics ( Read More )
DECEMBER 1, 1997 Journal Article Mixture Experiment Techniques for Reducing the Number of Components Applied to Modeling Waste Glass Sodium Release ( Read More )
DECEMBER 1, 1997 Journal Article Effects of oxidant air pollutants on western pine beetle (Coleoptera: Scolytidae) Populations in Southern California. ( Read More )
DECEMBER 1, 1997 Journal Article Density Functional Theory Predictions of Second-Order Hyperpolarizabilities of Metallocenes ( Read More )
NOVEMBER 22, 1997 Journal Article (1)Dissociative electron attachment in nanoscale ice films: Temperature and morphology effects ( Read More )
NOVEMBER 22, 1997 Journal Article Electronic Structure of Titanium Oxide Clusters: TiOy (y=1-3) and (TiO2)n (n=1-4) ( Read More )
NOVEMBER 18, 1997 Journal Article Electron-Stimulated Desorption of D- (H-) from Condensed D2O (H2O) Films ( Read More )
NOVEMBER 18, 1997 Journal Article Effect of Surface Roughness on the Electron-Stimulated Desorption of D+ from Microporous D2O Ice ( Read More )
NOVEMBER 15, 1997 Journal Article Electronic Structure and Photoelectron Spectroscopy of A1Si Mixed Dimer ( Read More )
NOVEMBER 1, 1997 Journal Article Contribution of Many-body Terms to the Energy for Small Water Clusters: A Comparison of ab initio calculations and Accurate Model Potentials ( Read More )
NOVEMBER 1, 1997 Journal Article Experiments and Theory on the Thermal Decomposition of CHCI3 and the Reactions of CCI2 ( Read More )
NOVEMBER 1, 1997 Journal Article Atomic and Molecular Photostimulated Desorption from Complex Ionic Crystals ( Read More )
OCTOBER 30, 1997 Journal Article A Novel Ion Funnel for Focusing Ions at Elevated Pressure Using Electrospray Ionization Mass Spectrometry ( Read More )