Department of Chemistry

College of Letters & Science
Folkers LC, Warden HEM, Fredrickson DC, Lidin S. Entropy-Driven Incommensurability: Chemical Pressure-Guided Polymorphism in PdBi and the Origins of Lock-In Phenomena in Modulated Systems. Inorganic Chemistry. 2020;59:4936-4949.
Peterson GGC, Geisler EE, Fredrickson DC. Intermetallic Reactivity: Ca3Cu7.8Al26.2 and the Role of Electronegativity in the Stabilization of Modular Structures. Inorganic Chemistry. 2020;59:5018-5029.
Peterson GGC, Berns VM, Fredrickson DC. Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides. 2020;142:8575-8579.
Warden HEM, Lee SB, Fredrickson DC. Frustrated and Allowed Structural Transitions at the Limits of the BaAl4 Type: The (3+2)D Modulated Structure of Dy(Cu(0.18)G(0.82))(3.71). Inorganic Chemistry. 2020;59:10208-10222.
Yannello VJ, Lu ED, Fredrickson DC. At the Limits of Isolobal Bonding: pi-Based Covalent Magnetism in Mn2Hg5. Inorganic Chemistry. 2020;59:12304-12313.
Wu JZ, Lu ED, Li J, Lu YF, Kitano M, Fredrickson DC, et al.. Pseudogap Control of Physical and Chemical Properties in CeFeSi-Type Intermetallics. Inorganic Chemistry. 2019;58:2848-2855.
Vinokur AI, Hilleke KP, Fredrickson DC. Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5. Acta Crystallographica a-Foundation and Advances. 2019;75:297-306.
Lu ED, Fredrickson DC. Templating Structural Progessions in Intermetallics: How Chemical Pressure Directs Helix Formation in the Nowotny Chimney Ladders. Inorganic Chemistry. 2019;58:4063-4066.
Park SW, Hosono H, Fredrickson DC. Cation Clustering in Intermetallics: The Modular Bonding Schemes of CaCu and Ca2Cu. Inorganic Chemistry. 2019;58:10313-10322.
Warden HEM, Fredrickson DC. Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi. Journal of the American Chemical Society. 2019;141:19424-19435.
Du DX, Lim A, Zhang CY, Strohbeen PJ, Shourov EH, Rodolakis F, et al.. High electrical conductivity in the epitaxial polar metals LaAuGe and LaPtSb. Apl Materials. 2019;7.
Osman HH, Salvado MA, Pertierra P, Engelkemier J, Fredrickson DC, Recio JM. Chemical Pressure Maps of Molecules and Materials: Merging the Visual and Physical in Bonding Analysis. Journal of Chemical Theory and Computation. 2018;14:104-114.
Fredrickson DC. Parallels in Structural Chemistry between the Molecular and Metallic Realms Revealed by Complex Intermetallic Phases. Accounts of Chemical Research. 2018;51:248-257.
Hilleke KP, Fredrickson DC. Discerning Chemical Pressure amidst Weak Potentials: Vibrational Modes and Dumbbell/Atom Substitution in Intermetallic Aluminides. Journal of Physical Chemistry A. 2018;122:8412-8426.
Warden HEM, Voyles PM, Fredrickson DC. Paths to Stabilizing Electronically Aberrant Compounds: A Defect-Stabilized Polymorph and Constrained Atomic Motion in PtGa2. Inorganic Chemistry. 2018;57:13880-13894.
Vinokur AI, Fredrickson DC. 18-Electron Resonance Structures in the BCC Transition Metals and Their CsCl-type Derivatives. Inorganic Chemistry. 2017;56:2834-2842.
Hilleke KP, Fredrickson RT, Vinokur AI, Fredrickson DC. Substitution Patterns Understood through Chemical Pressure Analysis: Atom/Dumbbell and Ru/Co Ordering in Derivatives of YCo5. Crystal Growth & Design. 2017;17:1610-1619.
Miyazaki K, Yannello VJ, Fredrickson DC. Electron-counting in intermetallics made easy: the 18-n rule and isolobal bonds across the Os-Al system. Zeitschrift fuer Kristallographie - Crystalline Materials. 2017;232:487-496.
Peterson GGC, Yannello VJ, Fredrickson DC. Inducing Complexity in Intermetallics through Electron-Hole Matching: The Structure of Fe14Pd17Al69. Angewandte Chemie-International Edition. 2017;56:10145-10150.
Mizoguchi H, Muraba Y, Fredrickson DC, Matsuishi S, Kamiya T, Hosono H. The Unique Electronic Structure of Mg2Si: Shaping the Conduction Bands of Semiconductors with Multicenter Bonding. Angewandte Chemie-International Edition. 2017;56:10135-10139.
Wu JZ, Gong YT, Inoshita T, Fredrickson DC, Wang JJ, Lu YF, et al.. Tiered Electron Anions in Multiple Voids of LaScSi and Their Applications to Ammonia Synthesis. Advanced Materials. 2017;29.
Fredrickson RT, Guo YM, Fredrickson DC. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4. Journal of the American Chemical Society. 2016;138:248-256.
Engelkemier J, Fredrickson DC. Chemical Pressure Schemes for the Prediction of Soft Phonon Modes: A Chemist's Guide to the Vibrations of Solid State Materials. Chemistry of Materials. 2016;28:3171-3183.
Guo YM, Fredrickson DC. PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System. Crystals. 2016;6.
Kilduff BJ, Fredrickson DC. Chemical Pressure-Driven Incommensurability in CaPd5: Clues to High-Pressure Chemistry Offered by Complex Intermetallics. Inorganic Chemistry. 2016;55:6781-6793.
Engelkemier J, Green LM, McDougald RN, McCandless GT, Chan JY, Fredrickson DC. Putting ScTGa5 (T = Fe, Co, Ni) on the Map: How Electron Counts and Chemical Pressure Shape the Stability Range of the HoCoGa5 Type. Crystal Growth & Design. 2016;16:5349-5358.
Fredrickson RT, Fredrickson DC. Communication between cation environments in aluminosilicate frameworks: incommensurately modulated crystal structure of an e-plagioclase. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials. 2016;72:787-801.
Guo YM, Fredrickson DC. On the Functionality of Complex Intermetallics: Frustration, Chemical Pressure Relief, and Potential Rattling Atoms in Y11Ni60C6. Inorganic Chemistry. 2016;55:10397-10405.
Fredrickson DC. A Pressurized Exploration of Intermetallic Chemistry. Acs Central Science. 2016;2:773-774.
Vinokur AI, Fredrickson DC. Toward Design Principles for Diffusionless Transformations: The Frustrated Formation of Co-Co Bonds in a Low-Temperature Polymorph of GdCoSi2. Inorganic Chemistry. 2016;55:6148-6160.
Fredrickson RT, Kilduff BJ, Fredrickson DC. Homoatomic Clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): A Story, of Reluctant Intermetallics Crystallizing in a New Binary Structure Type. Inorganic Chemistry. 2015;54:821-831.
Kilduff BJ, Yannello VJ, Fredrickson DC. Defusing Complexity in Intermetallics: How Covalently Shared Electron Pairs Stabilize the FCC Variant Mo2CuxGa6-x (x approximate to 0.9). Inorganic Chemistry. 2015;54:8103-8110.
Yannello VJ, Fredrickson DC. Generality of the 18-n Rule: Intermetallic Structural Chemistry Explained through Isolobal Analogies to Transition Metal Complexes. Inorganic Chemistry. 2015;54:11385-11398.
Yannello VJ, Kilduff BJ, Fredrickson DC. Isolobal Analogies in Intermetallics: The Reversed Approximation MO Approach and Applications to CrGa4- and Ir3Ge7-Type Phases. Inorganic Chemistry. 2014;53:2730-2741.
Berns VM, Engelkemier J, Guo YM, Kilduff BJ, Fredrickson DC. Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB(5) Intermetallics. Journal of Chemical Theory and Computation. 2014;10:3380-3392.
Yannello VJ, Fredrickson DC. Orbital Origins of Helices and Magic Electron Counts in the Nowotny Chimney Ladders: the 18-n Rule and a Path to Incommensurability. Inorganic Chemistry. 2014;53:10627-10631.
Berns VM, Fredrickson DC. Structural Plasticity: How Intermetallics Deform Themselves in Response to Chemical Pressure, and the Complex Structures That Result. Inorganic Chemistry. 2014;53:10762-10771.
Guo YM, Stacey TE, Fredrickson DC. Acid-Base Chemistry in the Formation of Mackay-Type Icosahedral Clusters: mu(3)-Acidity Analysis of Sc-Rich Phases of the Sc-Ir System. Inorganic Chemistry. 2014;53:5280-5293.
Fulfer BW, McAlpin JD, Engelkemier J, McCandless GT, Prestigiacomo J, Stadler S, et al.. Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMn(x)Ga(3) (Ln = Ho-Tm; x < 0.15). Chemistry of Materials. 2014;26:1170-1179.
Stacey TE, Fredrickson DC. Structural Acid-Base Chemistry in the Metallic State: How mu(3)-Neutralization Drives Interfaces and Helices in Ti21Mn25. Inorganic Chemistry. 2013;52:8349-8359.
Fredrickson RT, Fredrickson DC. The Modulated Structure of Co3Al4Si2: Incommensurability and Co-Co Interactions in Search of Filled Octadecets. Inorganic Chemistry. 2013;52:3178-3189.
Fredrickson DC, Doverbratt I, Ponou S, Lidin S. Bonding schemes for polar intermetallics through molecular orbital models: ca-supported Pt-Pt bonds in Ca10Pt7Si3. Crystals. 2013;3:504-516.
Engelkemier J, Berns VM, Fredrickson DC. First-Principles Elucidation of Atomic Size Effects Using DFT-Chemical Pressure Analysis: Origins of Ca36Sn23's Long-Period Superstructure. Journal of Chemical Theory and Computation. 2013;9:3170-3180.
Berns VM, Fredrickson DC. Problem Solving with Pentagons: Tsai-Type Quasicrystal as a Structural Response to Chemical Pressure. Inorganic Chemistry. 2013;52:12875-12877.
Stacey TE, Fredrickson DC. Perceiving molecular themes in the structures and bonding of intermetallic phases: the role of Huckel theory in an ab initio era. Dalton Transactions. 2012;41:7801-7813.
Stacey TE, Fredrickson DC. The mu(3) Model of Acids and Bases: Extending the Lewis Theory to Intermetallics. Inorganic Chemistry. 2012;51:4250-4264.
Hadler AB, Fredrickson DC. Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration. Journal of the American Chemical Society. 2012;134:10361-10364.
Fredrickson RT, Fredrickson DC. Fragmentation of the Fluorite Type in Fe8Al17.4Si7.6: Structural Complexity in Intermetallics Dictated by the 18 Electron Rule. Inorganic Chemistry. 2012;51:10341-10349.
Fredrickson DC. DFT-Chemical Pressure Analysis: Visualizing the Role of Atomic Size in Shaping the Structures of Inorganic Materials. Journal of the American Chemical Society. 2012;134:5991-5999.
Doverbratt I, Ponou S, Lidin S, Fredrickson DC. Ca(10)Pt(7)Tt(3) (Tt = Si, Ge): New Platinide Phases Featuring Electron-Rich 4c-6e Bonded Pt(7)Tt(3) (20-) Intermetalloid Clusters. Inorganic Chemistry. 2012;51:11980-11985.
Fredrickson DC. Electronic Packing Frustration in Complex Intermetallic Structures: The Role of Chemical Pressure in Ca(2)Ag(7). Journal of the American Chemical Society. 2011;133:10070-10073.
Harris NA, Hadler AB, Fredrickson DC. In Search of Chemical Frustration in the Ca-Cu-Cd System: Chemical Pressure Relief in the Crystal Structures of -Ca5Cu2Cd and Ca2Cu2Cd9. Zeitschrift Fur Anorganische Und Allgemeine Chemie. 2011;637:1961-1974.
Berns VM, Stacey TE, Sapiro M, Fredrickson DC. Mg(11)Cu(6)Al(12), A New Link in the Structural Chemistry of MgCu(2)-Type Clusters. European Journal of Inorganic Chemistry. 2011;:3936-3949.
Kars M, Fredrickson DC, Gomez-Herrero A, Lidin S, Rebbah A, Otero-Diaz LC. Structural study by X-ray diffraction and transmission electron microscopy of the misfit compound (SbS1-xSex)(1.16)(Nb1.036S2)(2). Materials Research BulletinMaterials Research Bulletin. 2010;45:982-988.
Fredrickson DC, Bostrom M, Grin Y, Lidin S. Re4Si7, First in a New MoSi2-Based Family of 14-Electron Phases. Chemistry-A European Journal. 2009;15:8108-8112.
Elenius M, Zetterling FHM, Dzugutov M, Dzugutov M, Fredrickson DC, Lidin S. Structural model for octagonal quasicrystals derived from octagonal symmetry elements arising in beta-Mn crystallization of a simple monatomic liquid. Physical Review B. 2009;79:-.
Elenius M, Zetterling FHM, Dzugutov M, Fredrickson DC, Lidin S. A structural model for octagonal quasicrystals derived from octagonal symmetry elements arising in β-Mn crystallization of a simple monoatomic liquid. Physical Review B. 2009;79:144201.
Fredrickson DC, Lidin S, Venturini G, Malaman B, Christensen J. Origins of superstructure ordering and incommensurability in stuffed CoSn-Type phases. Journal of the American Chemical Society. 2008;130:8195-8214.
Schmidt JT, Lee S, Fredrickson DC, Conrad M, Sun JL, Harbrecht B. Pd0.213Cd0.787 and Pd0.235Cd0.765 structures: Their long c axis and composite crystals, chemical twinning, and atomic site preferences. Chemistry-A European Journal. 2007;13:1394-1410.
Fredrickson DC, Lee S, Hoffmann R. Interpenetrating polar and nonpolar sublattices in intermetallics: The NaCd2 structure. Angewandte Chemie-International Edition. 2007;46:1958-1976.
Devic T, Yuan M, Adams J, Fredrickson DC, Lee S, Venkataraman D. The maximin principle of pi-radical packings. Journal of the American Chemical Society. 2005;127:14616-14627.
Clark PM, Lee S, Fredrickson DC. Transition metal AB(3) intermetallics: Structure maps based on quantum mechanical stability. Journal of Solid State Chemistry. 2005;178:1269-1283.
Bailey MS, Shen DY, McGuire MA, Fredrickson DC, Toby BH, DiSalvo FJ, et al.. The indium subnitrides Ae(6)In(4)(InxLiy)N3-z (Ae = Sr and Ba). Inorganic Chemistry. 2005;44:6680-6690.
Lee S, Mallik AB, Fredrickson DC. Dipolar-dipolar interactions and the crystal packing of nitriles, ketones, aldehdyes, and C(sp(2))-F groups. Crystal Growth & Design. 2004;4:279-290.
Fredrickson DC, Lee S, Hoffmann R, Lin JH. The Nowotny chimney ladder phases: Following the c(pseudo) clue toward an explanation of the 14 electron rule. Inorganic Chemistry. 2004;43:6151-6158.
Fredrickson DC, Lee S, Hoffmann R. The Nowotny chimney ladder phases: Whence the 14 electron rule?. Inorganic Chemistry. 2004;43:6159-6167.
Lee S, Chen BL, Fredrickson DC, DiSalvo FJ, Lobkovsky E, Adams JA. Crystal structures of (pyrene)(10)(I-3(-))(4)(I-2)(10) and 1,3,6,8-tetrakis(methylthio)pyrene (3)(I-3(-))(3)(I-2)(7): Structural trends in fused aromatic polyiodides. Chemistry of Materials. 2003;15:1420-1433.