Publications

Found 95 results
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Journal Article
Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R.  2014.  Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R.  2014.  Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
Pala R.GS, Metiu H..  2008.  Selective promotion of different modes of methanol adsorption via the cation substitutional doping of a ZnO (101bar0) surface. J. Catalysis. 254(2):325-331.
Teng Y, Otaduy MA, Madrid URJC, Kim T.  2014.  Simulating Articulated Subspace Self-Contact. SIGGRAPH 2014.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R.  2013.  On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.
Zheng Y, Miao M-S, Zhang Y, Nguyen T-Q, Wudl F.  2014.  Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.
Delaney K.T, Mostovoy M., Spaldin N.A.  2009.  Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Mishmash RV, Garrison JR, Bieri S, Xu C.  2013.  Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.
Watson MC, Morriss-Andrews A, Welch PM, Brown FLH.  2013.  Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.
Ivanovskaya A, Singh N, Liu R-F, Kreutzer H, Baltrusaitis J, Van Nguyen T, Metiu H, McFarland E.  2013.  Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
Ivanovskaya A, Singh N, Liu R-F, Kreutzer H, Baltrusaitis J, Van Nguyen T, Metiu H, McFarland E.  2013.  Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.
Miao M-S, Kurzman JA, Mammen N, Narasimhan S, Seshadri R.  2012.  Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.
Miao M-S, Kurzman JA, Mammen N, Narasimhan S, Seshadri R.  2012.  Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.
Nolan M., V. Verdugo S, Metiu H..  2008.  Vacancy formation and CO adsorption on gold-doped ceria surfaces. Surface Science. 602:2734-2742.
Vanaparthy S.H., Meiburg E..  2008.  Variable density and viscosity, miscible displacements in capillary tubes. European Journal of Mechanics - B/Fluids. 27:268-289.
Motrunich O.I.  2005.  Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 72:45105.
Martirosyan GG, Kurtikyan TS, Azizyan AS, Iretskii AV, Ford PC.  2013.  Weak coordination of neutral S-and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T. Journal of Inorganic Biochemistry. 121:129.

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