Publications

Export 605 results:
2007
Peles A., Van de Walle C.G..  2007.  Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.
Van de Walle C.G, Segev D..  2007.  Microscopic origins of surface states on nitride surfaces. J. Appl. Phys.. 101:81704.
Graham N..  2007.  Numerical Simulation of an Electroweak Oscillon. Physical Review D. 76:85017.
Zhuang Z., Jaeger L., Shea J.-E..  2007.  Probing the structural hierarchy and energy landscape of an RNA T-loop hairpin. Nucleic Acids Res. 35:6995-7002.
2006
Soto P., Baumketner A., Shea J.E..  2006.  Aggregation of polyalanine in a hydrophobic environment. J Chem Phys.. 124(13):134904.
Khanna V., Cochran E.W, Hexemer A., Stein G.E, Fredrickson G.H, Kramer E.J, Hahn S.F, Li X., Wang J..  2006.  Controlling the near surface orientation of block copolymer lamellae and cylinders using chain architecture and surface energy. PMSE Preprints. 95:41äóñ42.
Bosse A.W, Sides S.W, Katsov K, García-Cervera C.J, Fredrickson G.H.  2006.  Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
Chrétien S., Metiu H..  2006.  Density functional study of the CO oxydation on a doped rutile TiO2(110): effects of ionic Au in catalysis. Catal. Lett.. 107:143.
Janotti A., Segev D., Van de Walle C.G.  2006.  Effects of cation d states on III-nitride and II-oxide wide-band-gap semiconductors. Physical Review B. 74:45202.
Wei G., Shea J.-E.  2006.  Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
Friedel M., Baumketner A., Shea J.-E..  2006.  Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.
Segev D., Van de Walle C.G.  2006.  Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.
Baumketner A., Shea J.-E..  2006.  Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.
Liu P., Custodio S., Archuleta R.J.  2006.  Kinematic Inversion of the 2004 Mw 6.0 Parkfield Earthquake. Bulletin of the Seismological Society of America. 96:Jan-37.
Janotti A., Van de Walle C.G.  2006.  New insights into the role of native point defects in ZnO. Journal of Crystal Growth. 287:58-65.
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.
Segev D., Van de Walle C.G.  2006.  Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces. Europhys. Lett.. 76:305.
Liu P., Archuleta R.J, Hartzell S.H.  2006.  Prediction of Broadband Ground-Motion Time Histories: Hybrid Low/High- Frequency Method with Correlated Random Source Parameters. Bulletin of the Seismological Society of America. 96:2118-2130.
Baumketner A., Bernstein S.L, Wyttenbach T., Lazo N.D, Teplow D.B, Bowers M.T, Shea J.-E..  2006.  Structure of the 21-30 fragment of amyloid Beta protein. Protein Science. 15:1239.
Baumketner A., Shea J.-E..  2006.  The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations. Theor. Chem. Acc.. 116:262.

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