Publications

Found 27 results
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Man X, Delaney KT, Villet MC, Orland H, Fredrickson GH.  2014.  Coherent states formulation of polymer field theory. The Journal of chemical physics. 140:024905.
Man X, Delaney KT, Villet MC, Orland H, Fredrickson GH.  2013.  Coherent States Formulation of Polymer Field Theory. http://arxiv.org/abs/1301.1357. (submitted)
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.
McBride PM, Yan Q, Van de Walle CG.  2014.  Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.
McFarland EW, Metiu H.  2013.  Catalysis by Doped Oxides. Chemical Reviews. in press
Mester Z, Lynd NA, Delaney KT, Fredrickson GH.  2014.  Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach. Macromolecules.
Mester Z, Lynd NA, Fredrickson GH.  2013.  Numerical self-consistent field theory of multicomponent polymer blends in the Gibbs ensemble. Soft Matter. 9:11288–11294.
Metiu H..  2008.  Preface to special topic: A survey of some new developments in heterogeneous catalysis. J. Chem. Phys.. 128 (18):art.no.182501.
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.
Miao M-S.  2013.  Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.
Miao M-S, Hoffmann R.  2014.  High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts of chemical research. 47:1311–1317.
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, Yan Q.M, Van de Walle C.G..  2013.  Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.
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.
Mishmash RV, Gonzalez I, Melko RG, Motrunich OI, Fisher M.  2014.  A continuous Mott transition between a metal and a quantum spin liquid. arXiv preprint arXiv:1403.4258.
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.
Momida H, Cockayne E, Umezawa N, Ohno T.  2010.  Computational study of the dielectric properties of [La,Sc]2O3 solid solutions. Journal of Applied Physics. 107:74104.
Morriss-Andrews A, Brown FLeon Halet, Shea J-E.  2014.  A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Moses PGeorg, Van de Walle CG.  2010.  Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
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.
Motrunich O.I.  2006.  Orbital magnetic field effects in spin liquid with spinon Fermi sea: Possible application to kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 73:155115.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.

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