Publications

Author:
Year:

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"A theoretical examination of known and hypothetical clathrate hydrate stability"
Tribello,G. and Slater,B., 2009

"Electronic properties of zircon and hafnon from many-body perturbation theory"
R. Shaltaf and T. Rangel and M. Grüning and X. Gonze and G.-M. Rignanese and D. R. Hamann, May 2009
doi:10.1103/physrevb.79.195101

"Vacancy segregation in the initial oxidation stages of the TiN(100) surface."
Zimmermann,J. and Finnis,M.W. and Ciacchi,L.C. and, 2009

"yambo: An ab initio tool for excited state calculations"
Andrea Marini and Conor Hogan and Myrta Grüning and Daniele Varsano, February 2009
doi:10.1016/j.cpc.2009.02.003

"Ion Association in 1-Butyl-3-methylimidazolium Hexafluorophosphate / Naphthalene Mixtures"
Mario G. Del Pópolo and Pietro Ballone, December 2009
doi:10.1021/bk-2009-1030.ch026

"Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm−Dancoff Approximation"
Myrta Grüning and Andrea Marini and Xavier Gonze, August 2009
doi:10.1021/nl803717g

"Aten-An application for the creation, editing, and visualization of coordinates for glasses, liquids, crystals, and molecules"
T. G. A. Youngs, June 2009
doi:10.1002/jcc.21359

"Self-consistent geometry in the computation of the vibrational spectra of molecules"
Iván Scivetti and Jorge Kohanoff and Nikitas Gidopoulos, August 2009
doi:10.1103/physreva.80.022516

"General local and rectilinear vibrational coordinates consistent with Eckart’s conditions"
Iván Scivetti and Jorge Kohanoff and Nikitas I. Gidopoulos, March 2009
doi:10.1103/physreva.79.032516

"Supercell size scaling of density functional theory formation energies of charged defects"
N. D. M. Hine and K. Frensch and W. M. C. Foulkes and M. W. Finnis, January 2009
doi:10.1103/physrevb.79.024112

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