Explore scholarly publications from the Department of Chemistry faculty at the University of Rhode Island.

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Submissions from 2009

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A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods, Kunikeev Sharif, David L. Freeman, and J. D. Doll

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Surface analysis of solid electrolyte interphase on binder-free graphite electrodes in advanced electrolytes, Ang Xiao, Brett L. Lucht, Li Yang, Sun Ho Kang, and Daniel P. Abraham

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Examining the solid electrolyte interphase on binder-free graphite electrodes, Ang Xiao, Li Yang, Brett L. Lucht, Sun Ho Kang, and Daniel P. Abraham

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Effect of propane sultone on elevated temperature performance of anode and cathode materials in lithium-ion batteries, Mengqing Xu, Weishan Li, and Brett L. Lucht

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Investigation of lithium tetrafluorooxalatophosphate as a lithium-ion battery electrolyte, Mengqing Xu, Ang Xiao, Weishan Li, and Brett L. Lucht

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Inhibition of electrolyte oxidation in lithium ion batteries with electrolyte additives, Li Yang and Brett L. Lucht

Submissions from 2008

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A Stereographic Projection Path Integral Study of the Coupling between the Orientation and the Bending Degrees of Freedom of Water, E. Curotto, David L. Freeman, and J. D. Doll

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New chemical sensors based on point heterocontact between single wall carbon nanotubes and gold wires, Gennadiy V. Kamarchuk, Igor G. Kolobov, Andrei V. Khotkevich, Igor K. Yanson, and Alexander P. Pospelov

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Investigating the solid electrolyte interphase using binder-free graphite electrodes, S. H. Kang, D. P. Abraham, A. Xiao, and B. L. Lucht

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Azo bond hydrogenation with hydrazine, R-NHNH2, and hydrazobenzene, William M. Koppes, Jesse S. Moran, Jimmie C. Oxley, and James L. Smith

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Surface analysis of electrodes from cells containing electrolytes with stabilizing additives exposed to high temperature, W. Li, A. Xiao, B. L. Lucht, M. C. Smart, and B. V. Ratnakumar

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Detection of explosives in hair using ion mobility spectrometry, Jimmie C. Oxley, James L. Smith, Louis J. Kirschenbaum, Suvarna Marimganti, and Sravanthi Vadlamannati

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Aromatic nitration using nitroguanidine and EGDN, Jimmie C. Oxley, James L. Smith, Jesse S. Moran, Jonathan N. Canino, and Joseph Almog

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Raman and infrared fingerprint spectroscopy of peroxide-based explosives, Jimmie Oxley, James Smith, Joseph Brady, Faina Dubnikova, Ronnie Kosloff, Leila Zeiri, and Yehuda Zeiri

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MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates, Nuria Plattner, Tobias Bandi, J. D. Doll, David L. Freeman, and Markus Meuwly

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Oxidant-controlled regioselectivity in the oxidative arylation of N-acetylindoles, Shathaverdhan Potavathri, Ashley S. Dumas, Timothy A. Dwight, Gregory R. Naumiec, Jeffrey M. Hammann, and Brenton DeBoef

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A Constant Entropy Increase Model for the Selection of Parallel Tempering Ensembles, Dubravko Sabo, Markus Meuwly, David L. Freeman, and J. D. Doll

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Electrochemical characteristics of MCMB and LiNix Co1-x O2 electrodes in electrolytes with stabilizing additives, M. C. Smart, B. L. Lucht, and B. V. Ratnakumar

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Mesophase formation in regioregular poly(3-alkylthiophene)s containing long chain alkyl groups, Yu Wang, Nadia Archambault, Allison M. Belcher, Devin Busse, and David B. Damon

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Surface reactions and performance of non-aqueous electrolytes with lithium metal anodes, Li Yang, Carl Smith, Charles Patrissi, Christian R. Schumacher, and Brett L. Lucht

Submissions from 2007

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Rhodium-catalyzed synthesis of eight-membered rings, Brenton DeBoef, W. Richard Counts, and Scott R. Gilbertson

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C−C Bond Formation via Double C−H Functionalization:  Aerobic Oxidative Coupling as a Method for Synthesizing Heterocoupled Biaryls, Timothy A. Dwight, Nicholas R. Rue, Dagmara Charyk, Ryan Josselyn, and Brenton DeBoef

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The Quantum Mechanics of Clusters, David L. Freeman and J. D. Doll

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Rigid Quantum Monte Carlo Simulations of Condensed Molecular Matter: Water Clusters in the n=2 ―˃ 8 Range, Stephen F. Langley; E. Curotto; David L. Freeman; and J. D, Doll

Porous silicon microcavity coupled with fluorescence polymer as a sensor for the detection of explosives, Igor A. Levitsky, William B. Euler, Natalia Tokranova, and Aimee Rose

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Fluorescent polymer-porous silicon microcavity devices for explosive detection, Igor A. Levitsky, William B. Euler, N. Tokranova, and A. Rose

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Field effect of carbon nanotubes with an ionomeric polymer, Igor A. Levitsky, Igor G. Kolobov, and William B. Euler

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Inhibition of solid electrolyte interface formation on cathode particles for lithium-ion batteries, Wentao Li and Brett L. Lucht

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Inhibition of the detrimental effects of water impurities in lithium-ion batteries, Wentao Li and Brett L. Lucht

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Accumulation of explosives in hair - Part II: Factors affecting sorption, Jimmie C. Oxley, James L. Smith, Louis J. Kirschenbaum, and Suvarna Marimganti

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A study of reduced-sensitivity RDX, J. Oxley, J. Smith, R. Buco, and J. Huang

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The use of electrolyte additives to improve the high temperature resilience of Li-ion cells, M. C. Smart, B. L. Lucht, and B. V. Ratnakumar

Power fade in lithium-ion batteries: Effect of electrolyte additives, Ang Xiao and Brett L. Lucht

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Thermal reactions of LiP F6 with added LiBOB, Ang Xiao, Li Yang, and Brett L. Lucht

Submissions from 2006

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Photoactuation from a carbon nanotube-nafion bilayer composite, Igor A. Levitsky, Peter T. Kanelos, Destiny S. Woodbury, and William B. Euler

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Lithium-ion batteries: Thermal reactions of electrolyte with the surface of metal oxide cathode particles, Wentao Li and Brett L. Lucht

Solid electrolyte interphase on cathode materials of lithium ion batteries, Wentao Li and Brett L. Lucht

Transinformative thermographie barcode matrix that archivally monitors the safety of food, drug & biologicals: A fungible line item and carton TTI sentinel system, Brett L. Lucht and Robert Goldsmith

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Detrimental surface films on electrode materials: Investigation and inhibition, Brett L. Lucht, Wentao Li, and Ang Xiao

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Peroxide explosives, Jimmie Oxley and James Smith

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Peroxide explosives, Jimmie Oxley and James Smith

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Effect of residual monomer on the spectroscopic properties of polythiophenes, Yu Wang, Ashley A. Mills, William B. Euler, and Brett L. Lucht

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Thermal reactions of mesocarbon microbead (MCMB) particles in LiPF6-based electrolyte, Ang Xiao, Wentao Li, and Brett L. Lucht

Submissions from 2005

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Thermal decomposition of LiPF 6-based electrolytes for lithium-ion batteries, Christopher L. Campion, Wentao Li, and Brett L. Lucht

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Bis(phosphine imide)s: Easily tunable organic electron donors, Vanina V. Guidi, Zhou Jin, Devin Busse, William B. Euler, and Brett L. Lucht

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Poly-p-phenylene phosphine/polyaniline alternating copolymers: Electronic delocalization through phosphorus, Zhou Jin and Brett L. Lucht

Nanoporous Si - Organic composite photovoltaics, I. A. Levitsky, W. B. Euler, N. Tokranova, B. Xu, and J. Castracane

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Photoactuation in nafion-carbon nanotube bilayer composites, Igor A. Levitsky, Peter T. Kanelos, Elana A. Viola, and William B. Euler

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Additives for stabilizing LiPF6-based electrolytes against thermal decomposition, Wentao Li, Christopher Campion, Brett L. Lucht, Boris Ravdel, Joseph DiCarlo, and K. M. Abraham

Power fade in lithium-ion batteries: Reactions on the surface of metal oxide cathode particles, Brett L. Lucht and Wentao Li

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Koopmans-based analysis of the optical spectra of p-phenylene-bridged intervalence radical ions, Stephen F. Nelsen, Michael N. Weaver, João P. Telo, Brett L. Lucht, and Stephen Barlow

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Combining Smart Darting with Parallel Tempering Using Eckart Space: Application to Lennard–Jones Clusters, Pablo Nigra, David L. Freeman, and J. D. Doll

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Accumulation of explosives in hair, Jimmie C. Oxley, James L. Smith, Louis J. Kirschenbaum, Kajal P. Shinde, and Suvarna Marimganti

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Determination of the vapor density of Triacetone Triperoxide (TATP) using a gas chromatography headspace technique, Jimmie C. Oxley, James L. Smith, Kajal Shinde, and Jesse Moran

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Pressure Dependent Study of the Solid-Solid Phase Change in 38-Atom Lennard-Jones Cluster, Dubravko Sabo, David L. Freeman, and J. D. Doll

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Hybrid solar cells based on organic material embedded into porous Silicon, Natalya Tokranova, Igor Levitsky, Bai Xu, James Castracane, and William Euler

Submissions from 2004

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Suppression of toxic compounds produced in the decomposition of lithium-ion battery electrolytes, Christopher L. Campion, Wentao Li, William B. Euler, Brett L. Lucht, and Boris Ravdel

Decomposition reactions of ethylene carbonate based lithium-ion battery electrolytes, Christopher L. Campion, Wentao Li, and Brett L. Lucht

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Broken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride, Cristian V. Diaconu, Art E. Cho, J. D. Doll, and David L. Freeman

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Hexamethylphosphoramide as a flame retarding additive for lithium-ion battery electrolytes, Suzette Izquierdo-Gonzales, Wentao Li, and Brett L. Lucht

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Hybrid solar cells based on porous Si and copper phthalocyanine derivatives, I. A. Levitsky, W. B. Euler, N. Tokranova, B. Xu, and J. Castracane

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Electromechanical actuation of composite material from carbon nanotubes and ionomeric polymer, Igor A. Levitsky, P. Kanelos, and William B. Euler

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Regiocontrolled synthesis of poly(3-alkylthiophene)s by grignard metathesis, Yuxia Mao, Y. Wang, and Brett L. Lucht

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On the Encapsulation of Nickel Clusters by Molecular Nitrogen, Pablo Nigra, David L. Freeman, Dubravko Sabo, and J. D. Doll

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New source of evidence: Explosive traces in hair, J. C. Oxley, J. L. Smith, L. Kirschenbaum, K. P. Shinde, and S. Marimganti

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Training dogs to detect triacetone triperoxide (TATP), Jimmie C. Oxley, James L. Smith, Jesse Moran, Ken Nelson, and William E. Utley

Fire ecology range management on the fate & transport of explosives on testing & training ranges, Jimmie Oxley, James Smith, and Junqi Yue

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Taming the Rugged Landscape: Production, Reordering, and Stabilization of Selected Cluster Inherent Structures in the X13-nYn System, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Phase Changes in Selected Lennard-Jones X13-nYn Clusters, Dubravko Sabo, Cristian Predescu, J. D. Doll, and David L. Freeman

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Observation of two-step thermochromism in poly(3-docosylthiophene): DSC and reflection spectroscopy, Yu Wang, Nadia Archambault, Adrienne Marold, Lucy Weng, and Brett L. Lucht

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Unusual chromic and doping behavior of ether substituted polythiophenes, Yu Wang, William B. Euler, and Brett L. L. Lucht

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Lithium Hexamethyldisilazide-Mediated Ketone Enolization: The Influence of Hindered Dialkyl Ethers and Isostructural Dialkylamines on Reaction Rates and Mechanisms, Pinjing Zhao, Brett L. Lucht, Sarita L. Kenkre, and David B. Collum

Submissions from 2003

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Determination of the crystalline phases of poly(vinylidene fluoride) under different preparation conditions using differential scanning calorimetry and infrared spectroscopy, Marcel Benz and William B. Euler

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Synthesis and solution characterization of [Ru(bpy)2] 2+ modified polyazines, Meng Cheng and William B. Euler

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Photoconductivity of single-wall carbon nanotubes under continuous-wave near-infrared illumination, I. A. Levitsky and W. B. Euler

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Photoconductivity of single-walled carbon nanotubes under CW illumination, I. A. Levitsky, P. T. Kanelos, and W. B. Euler

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Novel actuating system based on a composite of single-walled carbon nanotubes and an ionomeric polymer, Igor A. Levitsky, Peter T. Kanelos, and William B. Euler

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Quantification and aging of the post-blast residue of TNT landmines, Jimmie C. Oxley, James L. Smith, Elmo Resende, and Evan Pearce

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Trends in explosive contamination, Jimmie C. Oxley, James L. Smith, Elmo Resende, Evan Pearce, and Thomas Chamberlain

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Energy Estimators for Random Series Path-Integral Methods, Cristian Predescu, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Heat Capacity Estimators for Random Series Path-Integral Methods by Finite-Difference Schemes, Cristian Predescu, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Thermal stability of lithium-ion battery electrolytes, Boris Ravdel, K. M. Abraham, Robert Gitzendanner, Joseph DiCarlo, Brett Lucht, and Chris Campion

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Taming the Rugged Landscape: Techniques for the Production, Reordering, and Stabilization of Selected Cluster Inherent Structures, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Computational techniques and strategies for Monte Carlo thermodynamic calculations, with applications to nanoclusters, Robert Q. Topper, David L. Freeman, Denise Bergin, and Keirnan R. LaMarche

Submissions from 2002

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Perspectives on analyses of nucleic acid constituents: The basis of genomics, Phyllis R. Brown, Christina S. Robb, and Susan E. Geldart

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Wavelet Formulation of Path Integral Monte Carlo, Art E. Cho, J. D. Doll, and David L. Freeman

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Electron-donating properties of p-phenylene phosphine imides: An electrochemical and spectroscopic investigation, Marcela Escobar, Zhou Jin, and Brett L. Lucht

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Transition metal mediated routes to poly(arylphosphine)s: Investigation of novel phosphorus containing conjugated polymers, Zhou Jin and Brett L. Lucht

Synthesis and investigation of polymer electrolytes derived from polyphosphates, Zhou Jin, Brett L. Lucht, K. M. Abraham, Rafael Rodriguez, and Joe DiCarlo

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Detection of hydroxyl radicals in photoirradiated wool, cotton, nylon and polyester fabrics using a flourescent probe, K. R. Millington and L. J. Kirschenbaum

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Decomposition of multi-peroxidic compounds: Part II. Hexamethylene triperoxide diamine (HMTD), J. C. Oxley, J. L. Smith, H. Chen, and Eugene Cioffi

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Decomposition of a multi-peroxidic compound: Triacetone triperoxide (TATP), Jimmie C. Oxley, James L. Smith, and Heng Chen

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Thermal decomposition of high-nitrogen energetic compounds - Dihydrazido-S-tetrazine salts, Jimmie C. Oxley, James L. Smith, and Heng Chen

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Ammonium nitrate: Thermal stability and explosivity modifiers, Jimmie C. Oxley, James L. Smith, Evan Rogers, and Ming Yu

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Analysis of green tea constituents by HPLC-FTIR, Christina S. Robb, Susan E. Geldart, John A. Seelenbinder, and Phyllis R. Brown

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Stationary Tempering and the Complex Quadrature Problem, Dubravko Sabo, J. D. Doll, and David L. Freeman

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Preliminary investigation into the recovery of explosives from hair, K. P. Sanders, M. Marshall, J. C. Oxley, J. L. Smith, and L. Egee

Effect of Food Processing on Bioactive Compounds in Foods: A New Method for Separation and Identification of cis-Cinnamic Acid from Its Racemic Mixture, Fang Ming Sun, James L. Smith, B. M. Vittimberga, and R. W. Traxler

Investigation of the oxidative coupling polymerization of 3-alkylthiophenes with iron(III) chloride, Yu Wang, Brett L. Lucht, and William B. Euler

Submissions from 2001

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New Ru(bpy)2L2+ complexes where L is a linear oligoazine, William B. Euler, Meng Cheng, and Chao Zhao