Submissions from 2001
New Ru(bpy)2L2+ complexes where L is a linear oligoazine, William B. Euler, Meng Cheng, and Chao Zhao
An alternative confirmatory test for silver ion in qualitative analysis, Louis J. Kirschenbaum, Elmo Resende, Edwin Li, and Ben Ruekberg
Determining explosivity part II: Comparison of small-scale cartridge tests to actual pipe bombs, J. C. Oxley, J. L. Smith, and E. Resende
Improvised explosive devices: Pipe bombs, J. C. Oxley, J. L. Smith, E. Resende, E. Rogers, R. A. Strobel, and E. C. Bender
Heat-release behavior of fuel combustion additives, J. C. Oxley, J. L. Smith, E. Rogers, W. Ye, A. A. Aradi, and T. J. Henly
A comparison of the thermal decomposition of nitramines and difluoramines, J. C. Oxley, J. L. Smith, J. Zhang, and C. Bedford
An electrochemical, spectroscopic, and theoretical study of poly(2,3-diaminophenazine), K. A. Thomas and W. B. Euler
Submissions from 2000
Energetics of Hydrogen Chemisorbed on Cu(110): A First Principlies Calculations Study, ChinSung Bae, David L. Freeman, J. D. Doll, G. Kresse, and J. Hafner
Phase Changes in 38-Atom Lennard-Jones Clusters. II. A Parallel Tempering Study of Equilibrium and Dynamic Properties in the Molecular Dynamics and Microcanonical Ensembles, F. Calvo, J. P. Neirotti, David L. Freeman, and J. D. Doll
Determination of Ksp, ΔG°, ΔH°, and ΔS° for the Dissolution of Calcium Hydroxide in Water a General Chemistry Experiment, William B. Euler, Louis J. Kirschenbaum, and Ben Ruekberg
Progress on determining the vapor signature of a buried landmine, Vivian George, Thomas F. Jenkins, James M. Phelan, Daniel C. Leggett, Jimmie Oxley, Stephen W. Webb, Paul H. Miyares, James H. Cragin, James Smith, and Thomas E. Berry
Oxygen radicals from photoirradiated human hair: An ESR and fluorescence study, Louis J. Kirschenbaum, Xinhua Qu, and Edward T. Borish
Synthesis and characterization of poly(p-phenylenephosphine)s, B. L. Lucht and N. O. St. Onge
Poly(2,5-diphenylgermole): incorporation of a germole ring into a conjugated polymer, Brett L. Lucht, Mihai A. Buretea, and T. Don Tilley
Phase Changes in 38-Atom Lennard-Jones Clusters. I. A Parallel Tempering Study in the Canonical Ensemble, J. P. Neirotti, F. Calvo, David L. Freeman, and J. D. Doll
A Heat Capacity Estimator for Fourier Path Integral Simulations, J. P. Neirotti, David L. Freeman, and J. D. Doll
Approach to Ergodicity in Monte Carlo Simulations, J. P. Neirotti, David L. Freeman, and J. D. Doll
Gas production from thermal decomposition of explosives: Assessing the thermal stabilities of energetic materials from gas production data, J. C. Oxley, J. L. Smith, E. Rogers, and X. X. Dong
Fuel combustion additives: A study of their thermal stabilities and decomposition pathways, J. C. Oxley, J. L. Smith, E. Rogers, and W. Ye
Decomposition pathways of some 3,6-substituted s-tetrazines, J. C. Oxley, J. L. Smith, and J. Zhang
Mass spectra of unlabeled and isotopically labeled hexamethylene triperoxide diamine (HMTD), Jimmie Oxley, Jun Zhang, James Smith, and Eugene Cioffi
Classification of pipe bomb fragments using optical microscopy and scanning electron microscopy, M. J. Platek, O. J. Gregory, C. Cummisky, Q. Lou, J. C. Oxley, J. L. Smith, and E. Resende
Hydroxyterephthalate as a fluorescent probe for hydroxyl radicals: Application to hair melanin, Xinhua Qu, Louis J. Kirschenbaum, and Edward T. Borish
Self-Adaptive Quadrature and Numerical Path Integration, Dubravko Sabo, J. D. Doll, and David L. Freeman
Mass spectral fragmentation pathways in cyclic difluoramino and nitro compounds, Jun Zhang, Jimmie Oxley, James Smith, Clifford Bedford, and Robert Chapman
Submissions from 1999
Asymptotic Convergence Rates of Fourier Path Integral Methods, Maria Eleftheriou, J. D. Doll, E. Curotto, and David L. Freeman
End-group effects on the structure and spectroscopy of oligoazines, William B. Euler, Meng Cheng, and Chao Zhao
Dimensional Strategies and the Minimization Problem: Barrier-Avoiding Algorithms, Daniel B. Faken, A. F. Voter, David L. Freeman, and J. D. Doll
Separation of purine and pyrimidine bases by capillary zone electrophoresis with carbonate buffers, Susan E. Geldart and Phyllis R. Brown
Single crystal x-ray structures of 2-pyridinecarboxaldehydeazine and biacetylazine: implications of the conjugation in systems with carbon-nitrogen double bonds, Eric C. Kesslen, William B. Euler, and Bruce M. Foxman
Convenient syntheses of 2,2'-biindole, Darrell J. Koza and William B. Euler
Lithium hexamethyldisilazide: A view of lithium ion solvation through a glass-bottom boat, Brett L. Lucht and David B. Collum
Small-scale explosivity testing, Jimmie Oxley, James Smith, Evan Rogers, Elmo Resende, and Abdel Mostafa
Configurational and conformational mobility in a cross-conjugated derivative of 1,3-diketo-2-iminopropane, Yueyang Song, Lynne Spencer, William B. Euler, and William Rosen
Submissions from 1998
Improving the Sensitivity of the Capillary Electrophoresis Analysis of Carbovir Triphosphate and Purine Deoxyribonucleoside Triphosphates with Whole Capillary Stacking, Phyllis R. Brown and Susan E. Geldart
Theoretical Studies of the Effect of Hydrogen–Hydrogen Interactionson the Structural and Dynamical Properties of Metal/Hydrogen Clusters, B. Chen, M. A. Gomez, J. D. Doll, and David L. Freeman
Synthesis and spectra of some 2h-, 13c-, and 15n-labeled isomers of 1, 3, 3-trinitroazetidine and 3, 3-dinitroazetidinium nitrate, M. D. Coburn, M. A. Hiskey, J. C. Oxley, J. L. Smith, W. Zheng, and E. Rogers
The melting transition of Ni 7 and Ni 7 H as modeled by a semi-empirical potential, E. Curotto, David L. Freeman, Bin Chen, and J. D. Doll
A j-Walking Algorithm for Microcanonical Simulations: Applications to Lennard-Jones Clusters, E. Curotto, David L. Freeman, and J. D. Doll
A Semi-Empirical Potential for Simulations of Transition Metal Clusters: Minima and Isomers of Nin (n=2-13) and their Hydrides, E. Curotto, A. Matro, David L. Freeman, and J. D. Doll
Analysis of nucleotides by capillary electrophoresis, Susan E. Geldart and Phyllis R. Brown
Dynamic Path Integral Methods: A Maximum Entropy Approach Based on the Combined use of Real and Imaginary Time Quantum Monte Carlo Data, Dongsup Kim, Jimmie D. Doll, and David L. Freeman
Building a new culture for learning, Stephen V. Letcher and William B. Euler
Complete solution NMR analysis of three oligoimine model compounds, Lynne Spencer, William B. Euler, Daniel D. Traficante, Misoo Kim, and William Rosen
Submissions from 1997
Information theory and the optimization of Monte Carlo simulations, Maria Eleftheriou, Dongsup Kim, J. D. Doll, and David L. Freeman
Isolation and characterization of a unique heterocyclic ring system from nickel-ion catalysed polymerization of phenylisocyanide, William B. Euler, Jiun Tang Huang, Misoo Kim, Lynne Spencer, and William Rosen
Thermal stability of a han-based liquid gun propellant, J. S. Gardner, J. C. Oxley, and J. L. Smith
Optimization for the separation of ribonucleotides by capillary electrophoresis at high pH, Susan E. Geldart and Phyllis R. Brown
Aggregation kinetics and precipitation phenomena in poly(phenylisocyanide), Jiun Tang Huang, Jingxian Sun, William B. Euler, and William Rosen
LFER Correlation of 13C Chemical Shift in Para-Substituted Phenyl Isocyanide: Implications for Formation of a Unique Polymer, Misoo Kim, William B. Euler, and William Rosen
Thermal decomposition studies on ammonium dinitramide (ADN) and 15N and 2H isotopomers, J. C. Oxley, J. L. Smith, W. Zheng, E. Rogers, and M. D. Coburn
NTO decomposition products tracked with 15N labels, Jimmie C. Oxley, James L. Smith, Evan Rogers, and Xiaoxia X. Dong
Thermal decomposition pathways of 1,3,3-trinitroazetidine (TNAZ), related 3,3-dinitroazetidium salts, and 15N, 13C, and 2H isotopomers, Jimmie Oxley, James Smith, Weiyi Zheng, Evan Rogers, and Michael Coburn
Tris(phenylimino)-1,3-diphenyl-1,2,3-propantrione: A model compound implicating a nonhelical structure for poly((N-phenylimino)methylene), L. Spencer, M. Kim, W. B. Euler, and W. Rosen
Improvements in the Determination of Decomposition Gases from 1,3,3-Trinitroazetidine and 5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one Using Capillary Gas Chromatography-Mass Spectrometry, Weiyi Zheng, Xiaoxia Dong, Evan Rogers, Jimmie C. Oxley, and James Smith
Mass spectral fragmentation pathways in 1,3,3-trinitroazetidine, Weiyi Zheng, Evan Rogers, Michael Coburn, Jimmie Oxley, and James Smith
Submissions from 1996
Theoretical Studies of the Structure and Dynamics of Metal/Hydrogen Systems: Diffusion and Path Integral Monte Carlo Investigations of Nickel and Palladium Clusters, B. Chen, M. A. Gomez, M. Sehl, J. D. Doll, and David L. Freeman
IR spectroscopy of pristine and iodine-doped permethylpolyazine, William B. Euler
Computational Studies of Clusters: Methods and Results, David L. Freeman and J. D. Doll
Computational Study of the Structures and Thermodynamic Properties of Ammonium Chloride Clusters Using a Parallel Jump-Walking Approach, Alexander Matro, David L. Freeman, and Robert Q. Topper
NTO decomposition studies, J. C. Oxley, J. L. Smith, K. E. Yeager, E. Rogers, and X. X. Dong
Submissions from 1995
Synthesis and characterization of pyridine end-capped oligoazines, Eric C. Kesslen and William B. Euler
Free radical production by sonolysis of aqueous mixtures of N,N-dimethylformamide: An EPR spin trapping study, Vladimír Mišík, Louis J. Kirschenbaum, and Peter Riesz
Syntheses and characterization of poly(aminophenazines), Ajith H. Premasiri and William B. Euler
Synthesis and characterization of oligonaphthylamines, Brian K. Schmitz and William B. Euler
Electronic and FTIR Spectroscopy of Controlled Chain Length Pristine and Iodine-Doped Permethylazine Oligomers, Bradford Charles Sherman, Brian K. Schmitz, and William B. Euler
Submissions from 1994
The construction of double-ended classical trajectories, A. E. Cho, J. D. Doll, and D. L. Freeman
Decisions, decisions: Noise and its effects on integral Monte Carlo algorithms, J. D. Doll and D. L. Freeman
Monte Carlo Methods in Chemistry, Jim Doll and David L. Freeman
Fourier path integral Monte Carlo method for the calculation of the microcanonical density of states, David L. Freeman and J. D. Doll
Locating Transition States Using Double-Ended Classical Trajectories, A. Matro, David L. Freeman, and Jimmie D. Doll
A computational study of azine, azoethene, and diimine linkages in the poly/oligoazine system, Brian K. Schmitz and William B. Euler
Electronic Spectroscopy of Poly(Propylmethylazine), Bradford Charles Sherman and William B. Euler
The modern student laboratory - Polyaniline-a conducting polymer: Electrochemical synthesis and electrochromic properties, Bradford Charles Sherman, William B. Euler, and R. Ren Forcé
Submissions from 1993
PHOTOSENSITIZED FORMATION OF ASCORBATE RADICALS BY RIBOFLAVIN: AN ESR STUDY, Heasook Kim, Louis J. Kirschenbaum, Ionel Rosenthal, and Peter Riesz
Sonolysis of dimethyl sulfoxide-water mixtures: A spin-trapping study, Takashi Kondo, Louis J. Kirschenbaum, Heasook Kim, and Peter Riesz
A Study of Low Temperature Heat Capacity Anomalies in Bimetallic Alloy Clusters using J-Walking Monte Carlo Methods, Gustavo E. Lopez and David L. Freeman
Submissions from 1992
Extending J Walking to Quantum Systems: Applications to Atomic Clusters, D. D. Frantz, David L. Freeman, and Jimmie D. Doll
Dimeric ruthenium complexes of dicyanopyrazines: complexes with an unstable mixed-valence state, Eric C. Kesslen and William B. Euler
Photosensitized formation of ascorbate radicals by chloroaluminum phthalocyanine tetrasulfonate: An electron spin resonance study, Heasook Kim, Ionel Rosenthal, Louis J. Kirschenbaum, and Peter Riesz
A comparative theoretical study of hydrazine, Brian K. Schmitz and William B. Euler
Gibbs Free-Energy Changes for the Growth of Argon Clusters Absorbed on Graphite, Mary Ann Strozak, Gustavo E. Lopez, and David L. Freeman
The Oxidation Of Cyanide Ion By Silver(III) In Alkaline Media, Yunfu Sun and Louis Kirschenbaum
Submissions from 1991
Simultaneous stopped-flow kinetic determination of gallium and indium by a ligand substitution reaction, Ornella Abollino, Edoardo Mentasti, Corrado Sarzanini, Valerio Porta, and Louis J. Kirschenbaum
Direct Evidence of a Bipolaron Charge Carrier in Conducting Polyazines from 13C and 15N Solid-State NMR Spectroscopy: Detection of a Nitrenium Cation by Natural Abundance 15N Solid-State NMR Spectroscopy, Benjamin Chaloner-Gill, William B. Euler, Paul D. Mumbauer, and James E. Roberts
13C and 15N Solid-State NMR of Partially Methyl Substituted Polyazines, Benjamin Chaloner-Gill, William B. Euler, and James E. Roberts
Preparation and characterization of a [Ni(en)2]2+ complex of permethylpolyazine, William B. Euler
X-ray powder diffraction on oligomeric and polymeric permethylpolyazine, William B. Euler and Andrew Szabo
Reduction of the Tetrahydroxoargentate(III) Ion by Thiocyanate in Aqueous Alkaline Media, Louis J. Kirschenbaum and Yunfu Sun
The Quantum Mechanics of Clusters: The Low -Temperature Equilibrium and Dynamical Behavior of Rare-Gas Systems, Steven W. Rick, D. L. Leitner, Jimmie D. Doll, David L. Freeman, and D. D. Frantz
Kinetics and mechanism of the multi-step oxidation of ethylenediaminetetraacetate by [Ag(OH)4]- in alkaline media, Yunfu Sun, Louis J. Kirschenbaum, and Issifou Kouadio
A Dynamical Definition of Atomic Clusters, J. Xie, J. A. Northby, and David L. Freeman
Submissions from 1990
Structure of Glyoxal Dihydrazone and Synthesis, Characterization, and Iodine Doping of Unsubstituted Polyazine, Benjamin Chaloner-Gill, Clair J. Cheer, James E. Roberts, and William B. Euler
Synthesis, Characterization, and Iodine Doping of a Soluble Polyazine: The Propyl Methyl Substituted Derivative, William B. Euler
Reducing Quasi-Ergodic Behavior in Monte Carlo Simulations by J-Walking: Applications to Atomic Clusters, D. D. Frantz, David L. Freeman, and Jimmie D. Doll
The oxidation of iodide by the tetrahydroxoargentate(III) ion in aqueous alkaline media, Issifou Kouadio, Louis J. Kirschenbaum, and Raj N. Mehrotra
Silver (III) oxidation of the DL-mandelate ion, Issifou Kouadio, Louis J. Kirschenbaum, Raj N. Mehrotra, and Yunfu Sun
Submissions from 1989
Locating Stationary Paths in Functional Integrals: An Optimization Method Utilizing the Stationary Phase Monte Carlo Sampling Function, Thomas L. Beck, Jimmie D. Doll, and David L. Freeman
The Quantum Mechanics of Cluster Melting, Thomas L. Beck, Jimmie D. Doll, and David L. Freeman
Cumulant Methods and Short Time Propagators, Rob D. Coalson, David L. Freeman, and Jimmie D. Doll