Publications from the Department of Chemistry faculty at the University of Rhode Island.

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Submissions from 2001

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An alternative confirmatory test for silver ion in qualitative analysis, Louis J. Kirschenbaum, Elmo Resende, Edwin Li, and Ben Ruekberg

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Determining explosivity part II: Comparison of small-scale cartridge tests to actual pipe bombs, J. C. Oxley, J. L. Smith, and E. Resende

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Improvised explosive devices: Pipe bombs, J. C. Oxley, J. L. Smith, E. Resende, E. Rogers, R. A. Strobel, and E. C. Bender

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Heat-release behavior of fuel combustion additives, J. C. Oxley, J. L. Smith, E. Rogers, W. Ye, A. A. Aradi, and T. J. Henly

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A comparison of the thermal decomposition of nitramines and difluoramines, J. C. Oxley, J. L. Smith, J. Zhang, and C. Bedford

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An electrochemical, spectroscopic, and theoretical study of poly(2,3-diaminophenazine), K. A. Thomas and W. B. Euler

Submissions from 2000

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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

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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

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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

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Oxygen radicals from photoirradiated human hair: An ESR and fluorescence study, Louis J. Kirschenbaum, Xinhua Qu, and Edward T. Borish

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Synthesis and characterization of poly(p-phenylenephosphine)s, B. L. Lucht and N. O. St. Onge

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Poly(2,5-diphenylgermole): incorporation of a germole ring into a conjugated polymer, Brett L. Lucht, Mihai A. Buretea, and T. Don Tilley

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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

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A Heat Capacity Estimator for Fourier Path Integral Simulations, J. P. Neirotti, David L. Freeman, and J. D. Doll

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Approach to Ergodicity in Monte Carlo Simulations, J. P. Neirotti, David L. Freeman, and J. D. Doll

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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

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Fuel combustion additives: A study of their thermal stabilities and decomposition pathways, J. C. Oxley, J. L. Smith, E. Rogers, and W. Ye

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Decomposition pathways of some 3,6-substituted s-tetrazines, J. C. Oxley, J. L. Smith, and J. Zhang

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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

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Hydroxyterephthalate as a fluorescent probe for hydroxyl radicals: Application to hair melanin, Xinhua Qu, Louis J. Kirschenbaum, and Edward T. Borish

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Self-Adaptive Quadrature and Numerical Path Integration, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Mass spectral fragmentation pathways in cyclic difluoramino and nitro compounds, Jun Zhang, Jimmie Oxley, James Smith, Clifford Bedford, and Robert Chapman

Submissions from 1999

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Asymptotic Convergence Rates of Fourier Path Integral Methods, Maria Eleftheriou, J. D. Doll, E. Curotto, and David L. Freeman

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End-group effects on the structure and spectroscopy of oligoazines, William B. Euler, Meng Cheng, and Chao Zhao

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Dimensional Strategies and the Minimization Problem: Barrier-Avoiding Algorithms, Daniel B. Faken, A. F. Voter, David L. Freeman, and J. D. Doll

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Separation of purine and pyrimidine bases by capillary zone electrophoresis with carbonate buffers, Susan E. Geldart and Phyllis R. Brown

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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

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Convenient syntheses of 2,2'-biindole, Darrell J. Koza and William B. Euler

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Lithium hexamethyldisilazide: A view of lithium ion solvation through a glass-bottom boat, Brett L. Lucht and David B. Collum

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Small-scale explosivity testing, Jimmie Oxley, James Smith, Evan Rogers, Elmo Resende, and Abdel Mostafa

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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

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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

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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

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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. Oxlcy, J. L. Smith, W. Zheng, and E. Rogers

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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

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A j-Walking Algorithm for Microcanonical Simulations: Applications to Lennard-Jones Clusters, E. Curotto, David L. Freeman, and J. D. Doll

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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

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Analysis of nucleotides by capillary electrophoresis, Susan E. Geldart and Phyllis R. Brown

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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

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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

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Information theory and the optimization of Monte Carlo simulations, Maria Eleftheriou, Dongsup Kim, J. D. Doll, and David L. Freeman

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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

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Thermal stability of a han-based liquid gun propellant, J. S. Gardner, J. C. Oxley, and J. L. Smith

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Optimization for the separation of ribonucleotides by capillary electrophoresis at high pH, Susan E. Geldart and Phyllis R. Brown

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Aggregation kinetics and precipitation phenomena in poly(phenylisocyanide), Jiun Tang Huang, Jingxian Sun, William B. Euler, and William Rosen

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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

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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

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NTO decomposition products tracked with 15N labels, Jimmie C. Oxley, James L. Smith, Evan Rogers, and Xiaoxia X. Dong

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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

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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

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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 L. Smith

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Mass spectral fragmentation pathways in 1,3,3-trinitroazetidine, Weiyi Zheng, Evan Rogers, Michael Coburn, Jimmie Oxley, and James Smith

Submissions from 1996

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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

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IR spectroscopy of pristine and iodine-doped permethylpolyazine, William B. Euler

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Computational Studies of Clusters: Methods and Results, David L. Freeman and J. D. Doll

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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

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Synthesis and characterization of pyridine end-capped oligoazines, Eric C. Kesslen and William B. Euler

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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

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Syntheses and characterization of poly(aminophenazines), Ajith H. Premasiri and William B. Euler

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Synthesis and characterization of oligonaphthylamines, Brian K. Schmitz and William B. Euler

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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

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The construction of double-ended classical trajectories, A. E. Cho, J. D. Doll, and D. L. Freeman

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Decisions, decisions: Noise and its effects on integral Monte Carlo algorithms, J. D. Doll and D. L. Freeman

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Monte Carlo Methods in Chemistry, Jim Doll and David L. Freeman

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Fourier path integral Monte Carlo method for the calculation of the microcanonical density of states, David L. Freeman and J. D. Doll

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Locating Transition States Using Double-Ended Classical Trajectories, A. Matro, David L. Freeman, and Jimmie D. Doll

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A computational study of azine, azoethene, and diimine linkages in the poly/oligoazine system, Brian K. Schmitz and William B. Euler

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Electronic Spectroscopy of Poly(Propylmethylazine), Bradford Charles Sherman and William B. Euler

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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

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PHOTOSENSITIZED FORMATION OF ASCORBATE RADICALS BY RIBOFLAVIN: AN ESR STUDY, Heasook Kim, Louis J. Kirschenbaum, Ionel Rosenthal, and Peter Riesz

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Sonolysis of dimethyl sulfoxide-water mixtures: A spin-trapping study, Takashi Kondo, Louis J. Kirschenbaum, Heasook Kim, and Peter Riesz

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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

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Extending J Walking to Quantum Systems: Applications to Atomic Clusters, D. D. Frantz, David L. Freeman, and Jimmie D. Doll

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Dimeric ruthenium complexes of dicyanopyrazines: complexes with an unstable mixed-valence state, Eric C. Kesslen and William B. Euler

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Photosensitized formation of ascorbate radicals by chloroaluminum phthalocyanine tetrasulfonate: An electron spin resonance study, Heasook Kim, Ionel Rosenthal, Louis J. Kirschenbaum, and Peter Riesz

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A comparative theoretical study of hydrazine, Brian K. Schmitz and William B. Euler

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Gibbs Free-Energy Changes for the Growth of Argon Clusters Absorbed on Graphite, Mary Ann Strozak, Gustavo E. Lopez, and David L. Freeman

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The Oxidation Of Cyanide Ion By Silver(III) In Alkaline Media, Yunfu Sun and Louis Kirschenbaum

Submissions from 1991

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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

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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

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13C and 15N Solid-State NMR of Partially Methyl Substituted Polyazines, Benjamin Chaloner-Gill, William B. Euler, and James E. Roberts

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Preparation and characterization of a [Ni(en)2]2+ complex of permethylpolyazine, William B. Euler

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X-ray powder diffraction on oligomeric and polymeric permethylpolyazine, William B. Euler and Andrew Szabo

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Reduction of the Tetrahydroxoargentate(III) Ion by Thiocyanate in Aqueous Alkaline Media, Louis J. Kirschenbaum and Yunfu Sun

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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

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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

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A Dynamical Definition of Atomic Clusters, J. Xie, J. A. Northby, and David L. Freeman

Submissions from 1990

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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

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Synthesis, Characterization, and Iodine Doping of a Soluble Polyazine: The Propyl Methyl Substituted Derivative, William B. Euler

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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

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The oxidation of iodide by the tetrahydroxoargentate(III) ion in aqueous alkaline media, Issifou Kouadio, Louis J. Kirschenbaum, and Raj N. Mehrotra

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Silver (III) oxidation of the DL-mandelate ion, Issifou Kouadio, Louis J. Kirschenbaum, Raj N. Mehrotra, and Yunfu Sun

Submissions from 1989

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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

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The Quantum Mechanics of Cluster Melting, Thomas L. Beck, Jimmie D. Doll, and David L. Freeman

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Cumulant Methods and Short Time Propagators, Rob D. Coalson, David L. Freeman, and Jimmie D. Doll

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Classical monte carlo dynamics: A simulated annealing approach to the construction of double‐ended classical trajectories, J. D. Doll, Thomas L. Beck, and David L. Freeman