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Submissions from 2018

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Revealing Individual Lifestyles through Mass Spectrometry Imaging of Chemical Compounds in Fingerprints, Paige Hinners, Kelly C. O’Neill, and Young Jin Lee

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Chemical Imaging of Cyanoacrylate‐Fumed Fingerprints by Matrix‐assisted Laser Desorption/Ionization Mass Spectrometry Imaging, Kelly C. O'Neill, Paige Hinners, and Young Jin Lee

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Direct 17O Dynamic Nuclear Polarization of Single-Site Heterogeneous Catalysts, Frederic A. Perras, Kasuni Chathurika Boteju, Igor Ivan Slowing, Aaron D. Sadow, and Marek Pruski

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Quantitative atomic-scale structure characterization of ordered mesoporous carbon materials by solid state NMR, Zhuoran Wang, Naftali Opembe, Takeshi Kobayashi, Nicholas C. Nelson, Igor I. Slowing, and Marek Pruski

Submissions from 2017

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Spatial Mapping and Profiling of Metabolite Distributions During Germination, Robbyn Anand, Adam D. Feenstra, Liza E. Alexander, Zhihong Song, Andrew R. Korte, Marna Yandeaue-Nelson, Basil J. Nikolau, and Young-Jin Lee

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High-Throughput Selective Capture of Single Circulating Tumor Cells by Dielectrophoresis at a Wireless Electrode Array, Robbyn Anand and Min Li

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Using ATTO Dyes To Probe the Photocatalytic Activity of Au−CdS Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, and Jacob W. Petrich

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Electropolymerized Pyrrole Based Conductive Polymeric Ionic Liquids and their Application for Solid-Phase Microextraction, Amila M. Devasurendra, Cheng Zhang, Joshua A. Young, L. M. Viranga Tillekeratne, Jared L. Anderson, and Jon R. Kirchoff

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3D MALDI Mass Spectrometry Imaging of a Single Cell: Spatial Mapping of Lipids in the Embryonic Development of Zebrafish, Maria Emilia Duenas, Jeffrey J. Essner, and Young Jin Lee

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β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination, Naresh Eedugurala, Zhuoran Wang, KaKing Yan, Kasuni Boteju, Umesh Chaudhary, Takeshi Kobayashi, Arkady Ellern, Igor I. Slowing, Marek Pruski, and Aaron D. Sadow

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Identification and characterization of small molecule inhibitors of porcine reproductive and respiratory syndrome virus, Alyssa B. Evans, Pengfei Dong, Hyelee Loyd, Jianqiang Zhang, George A. Kraus, and Susan Carpenter

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Enhancing the resolution of 1H and 13C solid-state NMR spectra by reduction of anisotropic bulk magnetic susceptibility broadening, Michael P. Hanrahan, Amrit Venkatesh, Scott L. Carnahan, Julie L. Calahan, Genentech Inc., Eric J. Munson, and Aaron Rossini

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The Solvent- Solid Interface of Acid Catalysts Studied by High Resolution MAS NMR, Robert L. Johnson, Michael P. Hanrahan, Max Mellmer, James A. Dumesic, Aaron J. Rossini, and Brent H. Shanks

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Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces, Takeshi Kobayashi, Frédéric A. Perras, Umesh Chaudhary, Igor I. Slowing, Wenyu Huang, Aaron D. Sadow, and Merek Pruski

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Cerium-Catalyzed Hydrosilylation of Acrylates to Give α-Silyl Esters, Aradhana Pindwal, Smita Patnaik, William C. Everett, Arkady Ellern, Theresa L. Windus, and Aaron D. Sadow

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A flexible route to bioactive 6-alkyl-α-pyrones, Yang Qu and George A. Kraus

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Lead halide perovskites: Challenges and opportunities in advanced synthesis and spectroscopy, Bryan A. Rosales, Michael P. Hanrahan, Brett W. Boote, Aaron Rossini, Emily A. Smith, and Javier Vela

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Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand, Aaron D. Sadow, Kasuni C. Boteju, and Arkady Ellern

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Direct 3D Printing of Catalytically Active Structures, Igor I. Slowing, J. Sebastian Manzano, Zachary B. Weinstein, and Aaron D. Sadow

DNP-Enhanced Solid-State NMR Spectroscopy of Active Pharmaceutical Ingredients, Li Zhao, Arthur C. Pinon, Lyndon Emsley, and Aaron J. Rossini

Submissions from 2016

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Molecularly Responsive Binding through Co-occupation of Binding Space: A Lock–Key Story, Joseph K. Awino, Lan Hu, and Yan Zhao

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Sample Preparation for Bioanalytical and Pharmaceutical Analysis, Kevin D. Clark, Cheng Zheng, and Jared L. Anderson

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Catalytic Conversion Reactions in Nanoporous Systems with Concentration-Dependent Selectivity: Statistical Mechanical Modeling, Andrés García, Jing Wang, Theresa L. Windus, Aaron D. Sadow, and James W. Evans

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Derivation and Implementation of the Gradient of the R–7 Dispersion Interaction in the Effective Fragment Potential Method, Emilie B. Guidez, Peng Xu, and Mark S. Gordon

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35 Cl dynamic nuclear polarization solid-state NMR of active pharmaceutical ingredients, David A. Hirsh, Aaron J. Rossini, Lyndon Emsley, and Robert W. Schurko

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Light-up and FRET aptamer reporters; evaluating their applications for imaging transcription in eukaryotic cells, Muslum Ilgu, Judhajeet Ray, Lee Bendickson, Tianjiao Wang, Ivan Geraskin, George A. Kraus, and Marit Nilsen-Hamilton

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Superconducting Properties of Rh 9 In 4 S 4 Single Crystals, Udhara S. Kaluarachchi, Qisheng Lin, Weiwei Xie, Valentin Taufour, S. L. Bud’ko, Gordon J. Miller, and Paul C. Canfield

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DNP-Enhanced Ultrawideline Solid-State NMR Spectroscopy: Studies of Platinum in Metal–Organic Frameworks, Takeshi Kobayashi, Frédéric A. Perras, Tian Wei Goh, Tanner L. Metz, Wenyu Huang, and Marek Pruski

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Physical Properties of Single Crystalline R Mg 2 Cu 9 ( R = Y , Ce − Nd , Gd − Dy , Yb ) and the Search for In-Plane Magnetic Anisotropy in Hexagonal Systems, Tai Kong, William R. Meier, Qisheng Lin, Scott M. Saunders, S. L. Bud’ko, Rebecca Flint, and Paul C. Canfield

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Recent advancements in ion concentration polarization, Min Li and Robbyn Anand

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Tuning Complexity by Lithiation: A Family of Intergrowth Structures Using Condensed hypho-Icosahedra in the Li-Doped Ca–Zn System, Qisheng Lin, Ran Zhu, and Gordon J. Miller

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Controlling Catalytic Properties of Pd Nanoclusters through Their Chemical Environment at the Atomic Level Using Isoreticular Metal–Organic Frameworks, Xinle Li, Tian Wei Goh, Lei Li, Zhiyong Guo, Xiao Cheng Zeng, and Wenyu Huang

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A Ship-in-a-Bottle Strategy To Synthesize Encapsulated Intermetallic Nanoparticle Catalysts: Exemplified for Furfural Hydrogenation, Raghu V. Maligal-Ganesh, Chaoxian Xiao, Tian Wei Goh, Lin-Lin Wang, Jeffrey Gustafson, Yuchen Pei, Zhiyuan Qi, Duane D. Johnson, Shiran Zhang, Franklin Feng Tao, and Wenyu Huang

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Electrochemical Conversion of Biologically Produced Muconic Acid: Key Considerations for Scale-Up and Corresponding Technoeconomic Analysis, John E. Matthiesen, Miguel Suástegui, Yutong Wu, Mothi Viswanathan, Yang Qu, Mingfeng Cao, Natalia Rodriguez-Quiroz, Adam Okerlund, George Kraus, D. Raj Raman, Zengyi Shao, and Jean-Philippe Tessonnier

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Synthetic Development of Low Dimensional Materials, Long Men, Miles A. White, Himashi P. Andaraarachchi, Bryan A. Rosales, and Javier Vela

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Enhancement of the Superconducting Gap by Nesting in CaKFe4As4: A New High Temperature Superconductor, Daixiang Mou, Tai Kong, William R. Meier, Felix Lochner, Lin-Lin Wang, Qisheng Lin, Yun Wu, S. L. Bud’ko, Ilya Eremin, Duane D. Johnson, Paul C. Canfield, and Adam Kaminski

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Extraction and Purification of DNA from Complex Biological Sample Matrices Using Solid-Phase Microextraction Coupled with Real-Time PCR, Omprakash Nacham, Kevin D. Clark, and Jared L. Anderson

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Deactivation of Ceria Supported Palladium through C–C Scission during Transfer Hydrogenation of Phenol with Alcohols, Nicholas C. Nelson, Juan Sebastian Manzano, and Igor I. Slowing

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Probing surface hydrogen bonding and dynamics by natural abundance, multidimensional, 17O DNP-NMR spectroscopy, Frédéric A. Perras, Umesh Chaudhary, Igor I. Slowing, and Marek Pruski

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Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines, Aradhana Pindwal, Arkady Ellern, and Aaron D. Sadow

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Persistent Dopants and Phase Segregation in Organolead Mixed-Halide Perovskites, Bryan A. Rosales, Long Men, Sarah D. Cady, Michael P. Hanrahan, Aaron J. Rossini, and Javier Vela

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Specificity and ligand affinities of the cocaine aptamer: impact of structural features and physiological NaCl, Ashish Sachan, Muslum Ilgu, Aaron Kempema, George A. Kraus, and Marit Nilsen-Hamilton

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Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates, Aaron D. Sadow, Regina R. Reinig, Debabrata Mukherjee, Zachary B. Weinstein, Weiwei Xie, Toshia Albright, Benjamin Baird, Tristan S. Gray, Arkady ellern, Gordan J. Miller, Arthur H. Winter, and Sergey L. Bud'ko

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Matrix assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) for direct visualization of plant metabolites in situ, Drew Sturtevant, Young-Jin Lee, and Kent D. Chapman

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Cu2ZnSnS4 Nanorods Doped with Tetrahedral, High Spin Transition Metal Ions: Mn2+, Co2+, and Ni2+, Michelle J. Thompson, Kyle J. Blakeney, Sarah D. Cady, Malinda D. Reichert, Joselyn Del Pilar-Albaladejo, Seth T. White, and Javier Vela

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Hybrid Approaches to Structural Characterization of Conformational Ensembles of Complex Macromolecular Systems Combining NMR Residual Dipolar Couplings and Solution X‑ray Scattering, Vincenzo Venditti, Timothy K. Egnert, and G. Marius Clore

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Polytypism and Unique Site Preference in LiZnSb: A Superior Thermoelectric Reveals Its True Colors, Miles A. White, Gordon J. Miller, and Javier Vela

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The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study, Theresa Lynn Windus, Daniel Theis, Joseph Ivanic, and Klaus Ruedenberg

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Conversion of Levulinic Acid to γ-Valerolactone over Few-Layer Graphene-Supported Ruthenium Catalysts, Chaoxian Xiao, Tian Wei Goh, Zhiyuan Qi, Shannon Goes, Kyle Brashler, Christopher Perez, and Wenyu Huang

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Large Scale Nanoparticle Screening for Small Molecule Analysis in Laser Desorption Ionization Mass Spectrometry, Gargey B. Yagnik, Rebecca L. Hansen, Andrew R. Korte, Malinda D. Reichert, Javier Vela, and Young-Jin Lee

Submissions from 2015

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A Fine Line Separates Carbocations from Diradical Ions in Donor-Unconjugated Cations, Toshia R. Albright and Arthur Winter

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Assessing Phosphine−Chalcogen Bond Energetics from Calculations, Samuel R. Alvarado, Ian A. Shortt, Hua-Jun Fan, and Javier Vela

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Phase-Programmed Nanofabrication: Effect of Organophosphite Precursor Reactivity on the Evolution of Nickel and Nickel Phosphide Nanocrystals, Himashi P. Andaraarachchi, Michelle J. Thompson, Miles A. White, Hua-Jun Fan, and Javier Vela

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Polymeric Nanoparticle Receptors as Synthetic Antibodies for Nonsteroidal Anti-Inflammatory Drugs (NSAIDs), Joseph K. Awino and Yan Zhao

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Preface: Special Topic on Supramolecular Self-Assembly at Surfaces, Ludwig Bartels, Karl-Heinz Ernst, Hong-Jun Gao, and Patricia A. Thiel

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Development of the Exams Data Analysis Spreadsheet as a Tool To Help Instructors Conduct Customizable Analyses of Student ACS Exam Data, Alexandra Brandriet and Thomas Holme

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Methods for Addressing Missing Data with Applications from ACS Exams, Alexandra Brandriet and Thomas Holme

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A Historical Investigation into Item Formats of ACS Exams and Their Relationships to Science Practices, Alexandra Brandriet, Jessica J. Reed, and Thomas Holme

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Multishell Au/Ag/SiO2 Nanorods with Tunable Optical Properties as Single Particle Orientation and Rotational Tracking Probes, Kuangcai Chen, Chia-Cheng Lin, Javier Vela, and Ning Fang

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Effective evaluation of catalytic deoxygenation for in situ catalytic fast pyrolysis using gas chromatography–high resolution mass spectrometry, D. Paul Cole and Young-Jin Lee

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Modeling Systems with π–π Interactions Using the Hartree–Fock Method with an Empirical Dispersion Correction, Justin A. Conrad and Mark S. Gordon

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Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods, Ana P. de Lima Batista, Federico Zahariev, Igor I. Slowing, Ataualpa A. C. Braga, Fernando R. Ornellas, and Mark S. Gordon

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Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability, Isa Doverbratt, Simeon Ponou, Yuemei Zhang, Sven Lidin, and Gordon J. Miller

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Tandem Alkyne Hydroacylation and Oxo-Michael Addition: Diastereoselective Synthesis of 2,3-Disubstituted Chroman-4-ones and Fluorinated Derivatives, Xiang-Wei Du and Levi M. Stanley

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Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations, Naresh Eedugurala, Megan Hovey, Hung-An Ho, Barun Jana, Nicole L. Lampland, Arkady Ellern, and Aaron D. Sadow

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Mesoporous Silica-Supported Amidozirconium-Catalyzed Carbonyl Hydroboration, Naresh Eedugurala, Zhuoran Wang, Umesh Chaudhary, Nicholas C. Nelson, Kapil Kandel, Takeshi Kobayashi, Igor I. Slowing, Marek Pruski, and Aaron D. Sadow

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Multi-matrix, dual polarity, tandem mass spectrometry imaging strategy applied to a germinated maize seed: toward mass spectrometry imaging of an untargeted metabolome, Adam Donald Feenstra, Rebecca L. Hansen, and Young-Jin Lee

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Combined Fragment Molecular Orbital Cluster in Molecule Approach to Massively Parallel Electron Correlation Calculations for Large Systems, Alexander D. Findlater, Federico Zahariev, and Mark S. Gordon

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Computational and NMR Spectroscopic Evidence for Stereochemistry-Dependent Conformations of 2,2,6,6-Tetramethylpiperidinyl-Masked 1,2-Diols, Eliscia Fought, Shreyosree Chatterjee, Theresa Lynn Windus, and Jason Chen

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BODIPY-Derived Photoremovable Protecting Groups Unmasked with Green Light, Pratik P. Goswami, Aleem Ayed, Christie L. Beck, Toshia R. Albright, Kaitlyn M. Mahoney, Ryan Unash, Emily A. Smith, and Arthur Winter

BODIPY-Derived Photoremovable Protecting Groups Unmasked with Green Light, Pratik P. Goswami, Aleem Ayed, Christie L. Beck, Toshia R. Albright, Kaitlyn M. Mahoney, Ryan Unash, Emily A. Smith, and Arthur Winter

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Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree−Fock Theory, Emilie B. Guidez and Mark S. Gordon

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Conformationally Switchable Water-Soluble Fluorescent Bischolate Foldamers as Membrane-Curvature Sensors, Roshan W. Gunasekara and Yan Zhao

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Rationally Designed Cooperatively Enhanced Receptors To Magnify Host–Guest Binding in Water, Roshan W. Gunasekara and Yan Zhao

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A Three-Dimensional Microporous Metal–Metalloporphyrin Framework, Zhiyong Guo, Dan Yan, Hailong Wang, Daniel Tesfagaber, Xinle Li, Yusheng Chen, Wenyu Huang, and Banglin Chen

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Defining Conceptual Understanding in General Chemistry, Thomas Holme, Cynthia J. Luxford, and Alexandra Brandriet

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Updating the General Chemistry Anchoring Concepts Content Map, Thomas Holme, Cynthia Luxford, and Kristen Murphy

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Rhodium-Catalyzed, Enantioselective Hydroacylation of ortho-Allylbenzaldehydes, Kirsten F. Johnson, Adam C. Schmidt, and Levi M. Stanley

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Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems, Kristopher Keipert, Gaurav Mitra, Vaibhav Sunriyal, Sarom Sok Leang, Masha Sosonkina, Alistair P. Rendell, and Mark S. Gordon

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Synthesis of Breitfussin B by Late-Stage Bromination, Akbar H. Khan and Jason Chen

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Investigation of the Chemical Interface in the Soybean–Aphid and Rice–Bacteria Interactions Using MALDI-Mass Spectrometry Imaging, Adam T. Klein, Gargey B. Yagnik, Jessica D. Hohenstein, Zhiyuan Ji, Jiachen Zi, Malinda D. Reichert, Gustavo C. Macintosh, Bing Yang, Reuben J. Peters, Javier Vela, and Young Jin Lee

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Subcellular-level resolution MALDI-MS imaging of maize leaf metabolites by MALDI-linear ion trap-Orbitrap mass spectrometer, Andrew R. Korte, Marna D. Yandeau-Nelson, Basil J. Nikolau, and Young-Jin Lee

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Triacetic acid lactone as a common intermediate for the synthesis of 4-hydroxy-2-pyridones and 4-amino-2-pyrones, George A. Kraus, Umayangani Wanninayake, and Jashaun Bottoms

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An improved aldol protocol for the preparation of 6-styrenylpyrones, George A. Kraus and Umayangani K. Wanninayake

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The (111) Surface of NaAu2: Structure, Composition, and Stability, Emma Jane Kwolek, Roladn Widmer, Oliver Gröning, Okan Deniz, Holly L. Walen, Chad D. Yuen, Wenyu Huang, Deborah L. Schlagel, Mark Wallingford, and Patricia A. Thiel

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Magnesium-Catalyzed Mild Reduction of Tertiary and Secondary Amides to Amines, Nicole L. Lampland, Megan L. Hovey, Debabrata Mukherjee, and Aaron D. Sadow

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Magnesium-catalyzed hydrosilylation of a,b-unsaturated esters, Nicole L. Lampland, Aradhana Pindwal, Steven R. Neal, Shealyn Schlauderaff, Arkady Ellern, and Aaron D. Sadow

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Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand, Nicole L. Lampland, Jing Zhu, Megan L. Hovey, Barun Jana, Arkady Ellern, and Aaron D. Sadow

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Direct Spectroscopic Detection and EPR Investigation of a Ground State Triplet Phenyl Oxenium Ion, Ming-De Li, Toshia Albright, Patrick J. Hanway, Mingyue Liu, Xin Li, Songbo Li, Julie Peterson, Arthur Winter, and David Lee Phillips

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Biochemistry Instructors’ Views toward Developing and Assessing Visual Literacy in Their Courses, Kimberly J. Linenberger and Thomas Holme

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Lithiation-Induced Zinc Clustering of Zn3, Zn12, and Zn18 Units in Zintl-Like Ca∼ 30Li3+ xZn60–x (x= 0.44–1.38), Qisheng Lin

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Model Space Diabatization for Quantum Photochemistry, Shaohong Li, Donald G. Truhlar, Michael Schmidt, and Mark S. Gordon

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What Do Conceptual Holes in Assessment Say about the Topics We Teach in General Chemistry?, Cynthia J. Luxford and Thomas Holme

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Building a Database for the Historical Analysis of the General Chemistry Curriculum Using ACS General Chemistry Exams as Artifacts, Cynthia J. Luxford, Kimberly J. Linenberger, Jeffrey R. Raker, John Y. Baluyut, Jessica J. Reed, Chamila De Silva, and Thomas Holme

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Zirconium-Catalyzed Desymmetrization of Aminodialkenes and Aminodialkynes through Enantioselective Hydroamination, Kuntal Manna, Naresh Eedugurala, and Aaron D. Sadow

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Corbett Special Issue Editorial, Gordon J. Miller, Gerd Meyer, and Anja V. Mudring

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Designing Chemistry Practice Exams for Enhanced Benefits. An Instrument for Comparing Performance and Mental Effort Measures, Kristen L. Murphy and Thomas Holme

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Analytic Second Derivative of the Energy for Density Functional Theory Based on the Three-Body Fragment Molecular Orbital Method, Hiroya Nakata, Dmitri G. Fedorov, Federico Zahariev, Michael Schmidt, Kazuo Kitaura, Mark S. Gordon, and Shinichiro Nakamura

Ab Initio Investigation of the Aqueous Solvation of the Nitrate Ion, Spencer Pruitt, Kurt Ryan Brorsen, and Mark S. Gordon

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Preparation and Instability of Nanocrystalline Cuprous Nitride, Malinda D. Reichert, Miles A. White, Michelle J. Thompson, Gordon J. Miller, and Javier Vela