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11 - 18 / 18
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11.
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: 3901; Downloads: 0
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12.
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: 4189; Downloads: 0
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13.
Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms
Luigi Giacomazzi, Layla Martin-Samos, A. Boukenter, Youcef Ouerdane, Sylvain Girard, Antonino Alessi, Stefano De Gironcoli, Nicolas Richard, 2017, original scientific article

Keywords: ODC(II), silica, color centers, first-principles, twofold Si, GLPC
Published in RUNG: 15.10.2018; Views: 4464; Downloads: 0
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14.
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: 4156; Downloads: 0
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15.
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: 4053; Downloads: 0
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16.
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: 3939; Downloads: 0
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17.
Vibrational spectra of vitreous germania from first-principles
Luigi Giacomazzi, Paolo Umari, Alfredo Pasquarello, 2006, original scientific article

Keywords: GeO2, glass, Raman, first-principles
Published in RUNG: 15.10.2018; Views: 3956; Downloads: 0
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18.
Partial vibrational density of states for amorphous solids from inelastic neutron scattering
D.A.J Whittaker, Luigi Giacomazzi, P.S. Salmon, Alfredo Pasquarello, 2018, original scientific article

Keywords: glasses, v-DOS, inelastic neutron scattering, GeSe2, first-principles
Published in RUNG: 03.10.2018; Views: 4434; Downloads: 0
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