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31.
Medium Range Structure of Tetrahedrally-Bonded Glasses through the First Principles Investigation of Raman spectra
Luigi Giacomazzi, Alfredo Pasquarello, 2012, published scientific conference contribution

Keywords: silica, germania, glasses, Raman, first-principles
Published in RUNG: 16.10.2018; Views: 3776; Downloads: 0
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32.
33.
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations
Paolo Umari, Luigi Giacomazzi, Filippo De Angelis, M Pastore, Stefano Baroni, 2013, original scientific article

Keywords: TiO2, dye-sensitized, GW, first-principles
Published in RUNG: 15.10.2018; Views: 2997; Downloads: 0
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34.
Vibrational properties of vitreous GeSe2 with the Becke–Lee–Yang–Parr density functional
Luigi Giacomazzi, Carlo Massobrio, Alfredo Pasquarello, 2011, original scientific article

Keywords: GeSe2, glass, vibrational spectra, BLYP, Raman, first-principles, DFT, ab-initio
Published in RUNG: 15.10.2018; Views: 3229; Downloads: 0
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35.
36.
Dislocation properties of coesite from an ab-initio parametrized interatomic potential
Luigi Giacomazzi, Philippe Carrez, Sandro Scandolo, Patrique Cordier, 2011, original scientific article

Keywords: coesite, ab-initio, dislocations, silica
Published in RUNG: 15.10.2018; Views: 2979; Downloads: 0
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37.
Gypsum under pressure: A first-principles study
Luigi Giacomazzi, Sandro Scandolo, 2010, original scientific article

Keywords: Gypsum, Hydrous minerals, ab initio, high-pressure phase
Published in RUNG: 15.10.2018; Views: 3064; Downloads: 0
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38.
First-principles investigation of electronic, structural, and vibrational properties of a-Si3N4
Luigi Giacomazzi, Paolo Umari, 2009, original scientific article

Keywords: silicon nitride, first-principles, Raman, vibrational spectra
Published in RUNG: 15.10.2018; Views: 3279; Downloads: 0
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39.
Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
Luigi Giacomazzi, Paolo Umari, Alfredo Pasquarello, 2009, original scientific article

Keywords: silica, Raman, infrared, v-DOS, first-principles, glass
Published in RUNG: 15.10.2018; Views: 3115; Downloads: 0
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40.
First-principles investigation of the structural and vibrational properties of vitreous GeSe2
Luigi Giacomazzi, Carlo Massobrio, Alfredo Pasquarello, 2007, original scientific article

Keywords: GeSe2, glass, Raman, v-DOS, first-principles
Published in RUNG: 15.10.2018; Views: 2995; Downloads: 0
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