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Narejo G, Perger WF. (2011) First principles computations of second-order elastic constants (SOEC) and equations of state of rutile TiO2 Physics Research International |
Ottonello G, Civalleri B, Ganguly J, et al. (2010) Thermo-chemical and thermo-physical properties of the high-pressure phase anhydrous B (Mg14Si5O24): An ab-initio all-electron investigation American Mineralogist. 95: 563-573 |
Slough W, Perger WF. (2010) Application of an empirical dispersion potential to van der Waals binding in nitromethane, pentaerythritol, and pentaerythritol tetranitrate Chemical Physics Letters. 498: 97-100 |
Narejo G, Perger WF. (2010) First-principles computation of second-order elastic constants and equations of state for tetragonal BaTiO3 Chemical Physics Letters. 493: 263-268 |
Meyer A, Perger WF, Demichelis R, et al. (2010) Magnetic interactions in Ca3Fe2Ge3O 12 and Ca3Cr2Ge3O12 garnets. An ab initio all-electron quantum mechanical simulation International Journal of Quantum Chemistry. 110: 2192-2201 |
Perger WF. (2010) First-principles calculation of second-order elastic constants and equations of state for lithium azide, LiN3, and lead azide, Pb(N 3)2 International Journal of Quantum Chemistry. 110: 1916-1922 |
Perger WF, Flurchick KM. (2009) The use of the grimme dft potential for description of van der Waals bonded molecular crystals Aip Conference Proceedings. 1195: 549-551 |
Perger WF, Criswell J, Civalleri B, et al. (2009) Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code Computer Physics Communications. 180: 1753-1759 |
Bhatti MI, Perger WF. (2006) Solutions of the radial Dirac equation in a B-polynomial basis Journal of Physics B: Atomic, Molecular and Optical Physics. 39: 553-558 |
Perger WF, Zhao J, Winey JM, et al. (2006) First-principles study of pentaerythritol tetranitrate single crystals under high pressure: Vibrational properties Chemical Physics Letters. 428: 394-399 |