Faculty in the Department of Chemistry conduct research in a wide variety of specialty areas. This collection provides a sampling of their work.

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Submissions from 2017

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Electroless Deposition of Nickel on Photografted Polymeric Microscale Patterns, Gregory T. Carroll, Jeffrey R. Lancaster, Nicholas J. Turro, Jeffrey T. Koberstein, and Angela Mammana

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Eigenstate–Specific Temperatures in Two–Level Paramagnetic Spin Lattices, Mark Masthay, Calley N. Eads, Amber N. Johnson, R. Gerald Keil, Phillip Miller, Ross E. Jones, Joe D. Mashburn, and Harry B. Fannin

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The autophagy-related Beclin-1 protein requires the coiled-coil and BARA domains to form a homodimer with submicromolar affinity, Matthew J. Ranaghan, Michael A. Durney, Michael F. Mesleh, Patrick R. McCarren, Colin W. Garvie, Douglas S. Daniels, Kimberly L. Carey, Adam P. Skepner, Beth Levine, and Jose R. Perez

Submissions from 2016

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Point mutations at the catalytic site of PCSK9 inhibit folding, autoprocessing, and interaction with the LDL receptor, Colin W. Garvie, Cara V. Fraley, Nadine H. Elowe, Elizabeth K. Culyba, Christopher T. Lemke, Brian K. Hubbard, Virendar K. Kaushik, and Douglas S. Daniels

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Lubricants for Turbine Engines, David W. Johnson

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The Tribology and Chemistry of Phosphorus Containing Lubricant Additives, David W. Johnson

Submissions from 2015

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Benzotriazole-Mediated Synthesis of Nitrogen-Containing Heterocycles, Judit K. Beagle

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Synthesis and Flammability Testing of Epoxy Functionalized Phosphorous-Based Flame Retardants, Vladimir Benin, Xuemei Cui, Alexander Morgan, and Karl Seiwert

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A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1, Matthew C. Clifton, David M. Dranow, Alison Leed, Ben Fulroth, James W. Fairman, Jan Abendroth, Kateri A. Atkins, Ellen Wallace, Dazhong Fan, Guoping Xu, Z. J. Ni, Douglas S. Daniels, John Van Drie, Guo Wei, Alex B. Burgin, Todd R. Golub, Brian K. Hubbard, and Michael H. Serrano-Wu

Submissions from 2014

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Heat Release of Polyurethanes Containing Potential Flame Retardants based on Boron and Phosphorus Chemistries, Vladimir Benin, Bastien Gardelle, and Alexander Morgan

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Determination of Corrosion Inhibitor Lubricity Improver in Jet Fuel by Liquid Chromatography-Electrospray Ionization Mass Spectrometry, David W. Johnson, Milissa Flake, and Ryan Adams

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Science Classics, Mark Masthay

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A Small Molecule that Binds and Inhibits the ETV1 Transcription Factor Oncoprotein, Marius C. Pop, Nicolas Stransky, Colin W. Garvie, Jean-Philippe Theurillat, Emily C. Hartman, Timothy A. Lewis, Cheng Zhong, Elizabeth K. Culyba, Fallon Lin, Douglas S. Daniels, Raymond Pagliarini, Lucienne Ronco, Angela N. Koehler, and Levi A. Garraway

Submissions from 2013

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Chemical Analysis of Jet Fuel Polar, Heteroatomic Species via High-Performance Liquid Chromatography with Electrospray Ionization-Mass Spectrometric Detection, Ryan K. Adams, Steven Zabarnick, Zachary J. West, Richard C. Striebich, and David W. Johnson

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Patent: Dual Function Proteins for Treating Metabolic Disorders, Brian R. Boettcher, Shari L. Caplan, Susan E. Cellitti, Douglas S. Daniels, Norio Hamamatsu, Bernhard Hubert Geierstanger, Stuart Licht, Andreas Loew, and Stephen Craig Weldon

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Patent: Fusion Proteins for Treating Metabolic Disorders, Brian R. Boettcher, Shari L. Caplan, Douglas S. Daniels, Norio Hamamatsu, Stuart Licht, and Stephen Craig Weldon

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Preparation of Phosphonoterephthalic Acids via Palladium-catalyzed Coupling of Aromatic Iodoesters, Nathaniel Ivan, Vladimir Benin, and Alexander Morgan

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Interaction between Lubricants Containing Phosphate Ester Additives and Stainless Steels, David W. Johnson, Matthew Bachus, and John E. Hils

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Phosphate Esters, Thiophosphate Esters and Metal Thiophosphates as Lubricant Additives, David W. Johnson and John E. Hils

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Reaction Between Polyol-Esters and Phosphate Esters in the Presence of Metal Carbides, David W. Johnson, Carolyn Iacullo, and John E. Hils

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Characterization by NMR of Reactants and Products of Hydrofluoroether Isomers, CF3(CF2)3OCH3 and (CF3)2C(F)CF2OCH3, Reacting with Isopropyl Alcohol, Howard Knachel, Vladimir Benin, William E. Moddeman, Janine C. Birkbeck, Thomas A. Kestner, and Tayna L. Young

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Structure, Theoretical Studies and Coupling Reactions of Some New Cyclic Boronic Esters, Andrew Kuttler, Sravanthi Durganala, Albert Fratini, Alexander Morgan, and Vladimir Benin

Submissions from 2012

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Synthesis and Flame Retardant Testing of New Boronated and Phosphonated Aromatic Compounds, Vladimir Benin, Sravanthi Durganala, and Alexander Morgan

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Patent: Methods of Treating FGF21-Associated Disorders, Brian R. Boettcher, Shari L. Caplan, Douglas S. Daniels, Bernhard Hubert Geierstanger, Norio Hamamatsu, Stuart Licht, Andreas Loew, and Stephen Craig Weldon

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S- to N-Acyl Transfer in S-Acylcysteine Isopeptides via 9-, 10-, 12-, and 13-Membered Cyclic Transition States, Oleg Bol'shakov, Judit K. Beagle, Mamta Chahar, Khanh Ha, Levan Khelashvili, and Alan R. Katritzky

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Reactions of Methyl Perfluoroalkyl Ethers with Isopropyl Alcohol: Experimental and Theoretical Studies, Howard Knachel, Vladimir Benin, Chadwick Barklay, Janine C. Birkbeck, Billy D. Faubion, and William E. Moddeman

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En Route Towards α-Benzotriazoyl Nitroso Derivatives, Jean-Christophe M. Monbaliu, Lucas K. Beagle, Judit K. Beagle, Matthias Zeller, Christian V. Stevens, and Alan R. Katritzky

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Electrochemical Evaluation of the Compatibility of Fresh and Aged NovecTM 71IPA with Beryllium, Stainless Uranium, 304L Stainless Steel, and 2024-T3 Aluminum Alloy, Leanne Petry, Douglas C. Hansen, Thomas Wittberg, Chadwick Barklay, Daniel P. Kramer, Yuhchae Yoon, Howard Knachel, Janine C. Birkbeck, Bobby G. Russell, and William E. Moddeman

Submissions from 2011

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The Tetrafluoroborate Salt of 4-Methoxybenzyl N-2-(dimethylamino)ethyl-N-nitrosocarbamate: Synthesis, Crystal Structure and DFT Calculations, Helene Hedian and Vladimir Benin

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Theoretical Investigation of a Reported Antibiotic from the 'Miracle Tree' Moringa Oleifera, Michael Horwath and Vladimir Benin

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Application of Raman Spectroscopy to Lubricants, Lubricated Surfaces and Lubrication Phenomena, David W. Johnson

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Interaction of Polyol Esters and Phosphate Esters with Metal Carbides, David W. Johnson, John E. Hils, and Nelson Forster

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A Sodium Salt of the Dimer of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, and Vladimir Benin

Submissions from 2010

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New hypotheses about the structure–function of proprotein convertase subtilisin/kexin type 9: Analysis of the epidermal growth factor-like repeat A docking site using WaterMap, Robert A. Pearlstein, Qi-Ying Hu, Jing Zhou, David Yowe, Julian Levell, Bethany Dale, Virendar K. Kaushik, Douglas S. Daniels, Susan Hanrahan, Woody Sherman, and Robert Abel

Submissions from 2009

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Beta-peptides with improved affinity for hDM2 and hDMX, Elizabeth A. Harker, Douglas S. Daniels, Danielle A. Guarracino, and Alanna S. Schepartz

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Dye Labelling of Nucleosides, Alan R. Katritzky, Levan Khelashvili, Judit K. Beagle, and Karem Shanab

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Synthesis of Amino Acid Derivatives of Quinolone Antibiotics, Alan R. Katritzky, Munawar Ali Munawar, Judit K. Beagle, and Levan Khelashvili

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Preparation and Characterization of Some Substituted Benzyl N-nitrosocarbamates Containing an N-2-(methylthio)ethyl or a Bis(2-aminoethyl)sulfide Functionality, Satya Venkata, Eric Shamo, and Vladimir Benin

Submissions from 2008

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Preparation of Halogenated Derivatives of Thiazolo[5,4-d]thiazole via Direct Electrophilic Aromatic Substitution, Vladimir Benin, Alan T. Yeates, and Douglas Dudis

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C–N bond rotation and E–Z isomerism in some N-benzyl-N-methylcarbamoyl chlorides: A DFT study, Michael Horwath and Vladimir Benin

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Patent: Cell-Permeable Miniature Proteins, Alanna S. Schepartz, Douglas S. Daniels, and Betsy Smith

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Minimally Cationic Cell-Permeable Miniature Proteins via α-Helical Arginine Display, Betsy A. Smith, Douglas S. Daniels, Abigail E. Coplin, Gregory E. Jordan, Lynn M. McGregor, and Alanna S. Schepartz

Submissions from 2007

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High-Resolution Structure of a Beta-Peptide Bundle, Douglas S. Daniels, E. James Petersson, Jade X. Qiu, and Alanna S. Schepartz

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Biophysical and Structural Characterization of a Robust Octameric Beta-Peptide Bundle, Jessica L. Goodman, E. James Petersson, Douglas S. Daniels, Jade X. Qiu, and Alanna S. Schepartz

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Biophysical Characterization of a Beta-Peptide Bundle: Comparison To Natural Proteins, E. James Petersson, Cody J. Craig, Douglas S. Daniels, Jade X. Qiu, and Alanna S. Schepartz

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Intrinsically Cell-Permeable Miniature Proteins Based on a Minimal Cationic PPII Motif, Alanna S. Schepartz and Douglas S. Daniels

Submissions from 2006

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Secondary N-nitrosocarbamate Anions: Structure and Alkylation Reactions. A DFT Study, Vladimir Benin

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Preparation of Some Substituted Terephthalic Acids, Susanna Branion and Vladimir Benin

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Preparation, Characterization and DFT Studies of Some New N-Nitrosocarbamates and N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, and Vladimir Benin

Submissions from 2005

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Human Exposure to Selamectin from Dogs Treated with Revolution™: Methodological Consideration for Selamectin Isolation, R. C. Gupta, Mark Masthay, T. D. Canerdy, T. M. Acosta, R. J. Provost, D. M. Britton, B. H. Atieh, and R. J. Keller

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Positive and Negative Temperatures in a Two-Level System: Thermodynamic and Statistical-Mechanical Perspectives, Mark Masthay and Harry B. Fannin

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Synthesis, Structural Studies and Desilylation Reactions of Some N-2-(Trimethylsilyl)ethyl-N-nitrosocarbamates, Arpitha Thakkalapally and Vladimir Benin

Submissions from 2004

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DNA binding and nucleotide flipping by the human DNA repair protein AGT, Douglas S. Daniels, Tammy T. Woo, Kieu X. Luu, David M. Noll, Neil D. Clarke, Anthony E. Pegg, and John A. Tainer

Submissions from 2003

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Characterization of the Electrophile Binding Site and Substrate Binding Mode of the 26-kDa Glutathione S-transferase from Schistosoma japonicum, Rosa M. F. Cardoso, Douglas S. Daniels, Christopher M. Bruns, and John A. Tainer

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Full-Length Archaeal Rad51 Structure and Mutants: Mechanisms for RAD51 Assembly and Control by BRCA2, David S. Shin, Luca Pellegrini, Douglas S. Daniels, Biana Yelent, Lisa Craig, Debbie Bates, David Yu, Mahmud K. Shivji, Chiharu Hitomi, Andrew S. Arvai, Niels Volkmann, Hiro Tsuruta, Tom L. Blundell, and John A. Tainer

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CysG Structure Reveals Tetrapyrrole-Binding Features and Novel Regulation of Siroheme Biosynthesis, M. Elizabeth Stroupe, Helen K. Leech, Douglas S. Daniels, Martin J. Warren, and Elizabeth D. Getzoff

Submissions from 2002

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VaporPhase Lubrication: Reaction of Phosphate Ester Vapors with Iron and Steel, David W. Johnson, Samantha Morrow, Nelson Forster, and Costandy S. Saba

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The Laser-Induced Blue State of Bacteriorhodopsin:  Mechanistic and Color Regulatory Roles of Protein−Protein Interactions, Protein−Lipid Interactions, and Metal Ions, Mark Masthay, David M. Sammeth, Merritt C. Helvenston, Charles B. Buckman, Wuyi Li, Michael J. Cde-Baca, and John T. Kofron

Submissions from 2000

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Active and Alkylated Human AGT Structures: A Novel Zinc Site, Inhibitor and Extrahelical Base Binding, Douglas S. Daniels, Clifford D. Mol, Andrew S. Arvai, Sreenivas Kanugula, Anthony E. Pegg, and John A. Tainer

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The Role of Hydrogen Bonding in Rigid-rod Polymers: The Crystal Structure of a Polybenzobisimidazole Model Compound, D. W. Tomlin, Albert Fratini, M. Hunsaker, and W. Wade Adams

Submissions from 1998

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Mea Culpa: Formal Education and the Dis-Integrated World., Brian P. Coppola and Douglas S. Daniels

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Polythiophene Dications: Polarons and Bipolarons, Douglas Dudis, A. D. McFarland, and Albert Fratini

Submissions from 1997

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Temperature-resolved Molecular Emission Spectroscopy: An Analytical Technique for Solid Materials, David W. Johnson, Costandy S. Saba, James D. Wolf, and Robert L. Wright

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Color Changes Induced by Pigment Granule Aggregation in Chromatophores: A Quantitative Model Based on Beer's Law, Mark Masthay

Submissions from 1996

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Structuring the Liberal (Arts) Education in Chemistry., Brian P. Coppola and Douglas S. Daniels

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The Role of Written and Verbal Expression in Improving Communication Skills for Students in an Undergraduate Chemistry Program, Brian P. Coppola and Douglas S. Daniels

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1-(4-Nitrophenyl)-4-piperidinol, D. W. Tomlin, Timothy Bunning, G. E. Price, Albert Fratini, and W. Wade Adams

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Effects of Methyl Substitution on the Structure and Rotational Barrier in the Rigid-rod Polymer Poly(p-phenylenebenzobisthiazole), Steven Trohalaki, Michael Chabinyc, Timothy Resch, Albert Fratini, Thomas A. Vance, F. E. Arnold, and Douglas Dudis

Submissions from 1995

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Cholesteryl 4-(8-Octenyloxy)benzoate, Michael Chabinyc, Albert Fratini, Edward P. Socci, Barry A. Farmer, Timothy Bunning, and W. Wade Adams

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Syn and Anti Isomers of [2.2]Paracyclonaphthane, Albert Fratini, Michael Chabinyc, Timothy J. Perko, and W. Wade Adams

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Single-Crystal and High-Resolution X-ray Diffraction Studies and Raman Spectrum of a Phosphorus(V) Chloride Complex Containing a Single Bromide Ion, P3Cl14Br, Peter N. Gates, Howard Knachel, Arthur Finch, Albert Fratini, Andrew N. Fitch, Ottavio Nardone, James C. Otto, and Daniel A. Snider

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Residual Hydrogen Determination in Perfluoropolyalkylethers Using Fourier Transform Infrared and Proton Nuclear Magnetic Resonance Spectroscopies, Jim Liang, Mark Roselius, and David W. Johnson

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Facile Synthesis and Physical and Spectral Characterization of 2,6-di-tert-butyl-4-nitrophenol (DBNP): A Potentially Powerful Uncoupler of Oxidative Phosphorylation, José A. Rivera-Nevares, John F. Wyman, David L. Von Minden, Nathan Lacy, Michael Chabinyc, Albert Fratini, and David A. Macys

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Cholesteryl 4-Vinylbenzoate, Edward P. Socci, Barry A. Farmer, Michael Chabinyc, Albert Fratini, Timothy Bunning, and W. Wade Adams

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Crystal Structure and Thin Film Morphology of BBL Ladder Polymer, H. H. Song, Albert Fratini, Michael Chabinyc, A. K. Agrawal, J. Burkette, Douglas Dudis, and F. E. Arnold

Submissions from 1994

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I Scream, You Scream ...: A New Twist on the Liquid Nitrogen Demonstrations, Brian P. Coppola, James W. Hovick, and Douglas S. Daniels

Submissions from 1993

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Crystal Structures, Phase Transitions and Energy Calculations of Poly(p-phenylene) Oligomers, Kenneth N. Baker, Albert Fratini, Timothy Resch, Howard Knachel, and W. Wade Adams

Submissions from 1992

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Benzthiazole and Thiophene Capped Polyenes for Nonlinear Optical Applications: Single Crystal, Semi-empirical and A b Initio Results, Alan T. Yeates, Douglas Dudis, T. Resch, and Albert Fratini

Submissions from 1991

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Revised Assignment of Energy Storage in the Primary Photochemical Event in Bacteriorhodopsin, Robert R. Birge, Thomas M. Cooper, Albert F. Lawrence, Mark Masthay, Chian-Fan Zhang, and Raphael Zidovetzki

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Nonlinear Optical Properties of Bacteriorhodopsin: Assignment of the Third-order Polarizability Based on Two-photon Absorption Spectroscopy, Robert R. Birge, Mark Masthay, Jeffery A. Stuart, Jack R. Tallent, and Chian-Fan Zhang

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Investigation of Alkali Metal-Water Interactions in Acetonitrile, James F. O'Brien, David W. Johnson, Kathryn Kuehner, Timothy R. Brewer, and R. Gerald Keil

Submissions from 1990

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Nonlinear Optical Properties of Bacteriorhodopsin: Assignment of Second Order Hyperpolarizabilities of Randomly Oriented Systems Using Two-Photon Spectroscopy, Robert R. Birge, P. A. Fleitz, Albert F. Lawrence, Mark Masthay, and Chian-Fan Zhang

Submissions from 1989

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A Spectroscopic, Photocalorimetric, and Theoretical Investigation of the Quantum Efficiency of the Primary Event in Bacteriorhodopsin, Robert R. Birge, Thomas M. Cooper, Albert F. Lawrence, Mark Masthay, Christ Vasilakis, Chian-Fan Zhang, and Raphael Zidovetzki

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Origins of the Quantum Efficiency Duality In the Primary Photochemical Event of Bacteriorhodopsin, Robert R. Birge, Leonore A. Findsen, Albert F. Lawrence, Mark Masthay, and Chian-Fan Zhang

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Investigation of Lithium Water Interactions in Acetonitrile Solutions Using Proton Nuclear Magnetic Resonance, Raman and Infrared Spectroscopies and Extended Huckel Molecular Orbital Calculations, R. Gerald Keil, David W. Johnson, Mark A. Fryling, and James F. O'Brien

Submissions from 1988

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Synthesis of Rhodium(III), Iridium(III) and Osmium(III) Complexes with tris(2-Aminoethane-thiolato)cobalt(III), David W. Johnson and Timothy R. Brewer

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Copper(II) Complexes with Schiff Base Ligands. Synthesis of Some Copper(II) Complexes with Ligands Derived from the Reaction of Pyridine-2-Carboxaldehydes and Aromatic Amines, David W. Johnson, Helen K. Mayer, Joletta P. Minard, Jocelyn Banaticla, and Charles Miller

Submissions from 1987

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A Molecular Mechanics Model for the First Solvation Sphere of Complex Cations, George R. Brubaker, Shi Chen-Xi, and David W. Johnson

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Synthesis of Some Copper(II) Complexes with Ligands Derived from the Schiff Base Reaction Between 2-Pyridinecarboxaldehyde and Aliphatic Amines, David W. Johnson and Helen K. Mayer

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Symmetrical Ring Cleavage of the Gold(I) Phosphorus Ylide Dimer [Au(CH2)2PPh2]2 by Hydrogen Halides in Toluene, Howard Knachel, Colleen A. Dettorre, Henry J. Galaska, Teresa A. Salupo, John P. Frackler Jr., and H. H. Murray

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A Mononuclear Gold(I) Complex Containing a Covalently Bound Ylide Ligand. The Structure of Chloro[methyl(methylene)diphenylphosphoranyl-C]gold(I), Leigh C. Porter, Howard Knachel, and John P. Frackler Jr.

Submissions from 1986

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Effects of Mono– Versus Di–substitution of Conjugating Groups on the Electronic Structure of Porphyrins, David F. Bocian, Mark Masthay, and Robert R. Birge

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A Vibrational Study by Raman Spectroscopy of Some Dinuclear Gold Ylide Complexes, Robin J.H. Clark, Joanne H. Tocher, John P. Frackler Jr., R. Neira, H. H. Murray, and Howard Knachel

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Quantitative Estimates of Steric Effects: lntramolecular Strain Energy Effects on the Activation Energy for Aquation of Some transDichlorotetraamine Cobalt(III) Complexes, David W. Johnson and George R. Brubaker

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Reactions of HCI(g), DCI(g), and HBr(g) with the Adduct Pyrazine-Phosphorus(V) Chloride, Howard Knachel, Sherry D. Owens, Steven H. Lawrence, Mary E. Dolan, Michael C. Kerby, and Teresa A. Salupo

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A Theoretical Investigation of the One– and Two–photon Properties of Porphyrins, Mark Masthay, Leonore A. Findsen, Brian M. Pierce, David F. Bocian, James S. Lindsey, and Robert R. Birge

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Structure of a Mononuclear Gold(I) Complex Containing a Covalently Bound Ylide Ligand, Leigh C. Porter, Howard Knachel, and John P. Frackler Jr.

Submissions from 1985

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Experimental and Theoretical Studies of Dinuclear Gold(I) and Gold(II) Phosphorus Ylide Complexes. Oxidative Addition, Halide Exchange, and Structural Properties Including the Crystal and Molecular Structures of [Au2(CH2)2PPh2]2 and [Au(CH2)2PPh2]2(CH3)Br, John D. Basil, H. H. Murray, John P. Frackler Jr., Joanne H. Tocher, A. M. Mazany, B. Trzcinska-Bancrof, Howard Knachel, Douglas Dudis, T. J. Delord, and D. O. Marler

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Synthesis, Spectroscopy and Electrochemistry of Some Polynuclear Complexes of Arninoethanethiol, George R. Brubaker, Michael G. Henk, and David W. Johnson

Submissions from 1984

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Cobalt(Ill) Complexes with Cyanide and the Tetraamines l ,9-Diamino-3,7-diazanonane and l , l O-Diamino-4,7-diazadecane, George R. Brubaker and David W. Johnson