Publications

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A
Brgoch J, Lehner AJ, Chabinyc M, Seshadri R.  2014.  Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2017.  Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
Kim SJoo, Chang D, Zhang K, Graham G, Van der Ven A, Pan X.  2018.  Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode. ACS Energy Letters. 3:1848-1853.
Chrétien S, Metiu H.  2014.  Acid-Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces. J. Phys. Chem. C. 118:27336-27342.
Murray M.M, Griffin-Krone M., Bernstein S.L, Baumketner A., Condron M.M, Lazo N.D, Teplow D.B, Wyttenbach T., Shea J.-E., Bowers J.MT.  2009.  Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
Blanco C, Bayas M, Yan F, Chen IA.  2018.  Analysis of Evolutionarily Independent Protein-RNA Complexes Yields a Criterion to Evaluate the Relevance of Prebiotic Scenarios. Current Biology. 28:526–537.
Pressman A, Moretti JE, Campbell GW, Müller UF, Chen IA.  2017.  Analysis of in vitro evolution reveals the underlying distribution of catalytic activity among random sequences. Nucleic acids research.
Pressman A, Moretti JE, Campbell GW, Müller UF, Chen IA.  2017.  Analysis of in vitro evolution reveals the underlying distribution of catalytic activity among random sequences. Nucleic acids research.
Chen M-H, Emly A, Van der Ven A.  2015.  Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.
Yurash B, Leifert D, Reddy GNManjunatha, Cao DXi, Biberger S, Brus VV, Seifrid M, Santiago PJ, Köhler A, Chmelka BF et al..  2019.  Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
Yurash B, Leifert D, Reddy GNManjunatha, Cao DXi, Biberger S, Brus VV, Seifrid M, Santiago PJ, Köhler A, Chmelka BF et al..  2019.  Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
C
McNally A, Husak GJ, Brown M, Carroll M, Funk C, Yatheendradas S, Arsenault K, Peters-Lidard C, Verdin JP.  2015.  Calculating Crop Water Requirement Satisfaction in the West Africa Sahel with Remotely Sensed Soil Moisture. Journal of Hydrometeorology.
Evans HA, Andrews JL, Fabini DH, Preefer MB, Wu G, Cheetham AK, Wudl F, Seshadri R.  2019.  The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications. 55(5):588-591.
Chrétien S., Buratto S.K, Metiu H..  2008.  Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.
Choudhry U, Yue S, Liao B.  2019.  Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.
Williams ST, Lockyer AE, Dyal P, Nakano T, Churchill CKC, Speiser DI.  2017.  Colorful seashells: Identification of haem pathway genes associated with the synthesis of porphyrin shell color in marine snails. Ecology and Evolution. 7:10379–10397.
Turner TL, Miller PM, Cochrane VA.  2013.  Combining Genome-Wide Methods to Investigate the Genetic Complexity of Courtship Song Variation in Drosophila melanogaster. Molecular Biology and Evolution. 30:2113-2120.
Audus DJ, Delaney KT, Ceniceros HD, Fredrickson GH.  2013.  Comparison of Pseudospectral Algorithms for Field-Theoretic Simulations of Polymers. Macromolecules. 46:8383–8391.
Wang D, Li Y, Cai Z, Wu C.  2013.  Competing orders in the 2D half-filled SU (2N) Hubbard model through the pinning field quantum Monte-Carlo simulations. arXiv preprint arXiv:1305.3571.

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