Sfoglia per Autore
Infrared intensities and charge mobility in hydrogen bonded complexes
2013-01-01 Galimberti, DARIA RUTH; Milani, Alberto; Castiglioni, Chiara
IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6
2013-01-01 Galimberti, DARIA RUTH; Quarti, Claudio; Milani, Alberto; Brambilla, Luigi; B., Civalleri; Castiglioni, Chiara
Charge mobility in molecules: Charge fluxes from second derivatives of the molecular dipole
2013-01-01 Galimberti, DARIA RUTH; Milani, Alberto; Castiglioni, Chiara
Crystal Structure and Vibrational Spectra of Poly(trimethylene terephthalate) from Periodic Density Functional Theory Calculations
2014-01-01 Galimberti, DARIA RUTH; Milani, Alberto
Polymorphism of Poly(butylene terephthalate) Investigated by Means of Periodic Density Functional Theory Calculations
2014-01-01 Milani, Alberto; Galimberti, DARIA RUTH
Polymorphism of even nylons revisited through periodic quantum chemical calculations
2015-01-01 Galimberti, DARIA RUTH; Quarti, Claudio; Milani, Alberto
Intermolecular modulation of IR intensities in the solid state. the role of weak interactions in polyethylene crystal: A computational DFT study
2016-01-01 Galimberti, DARIA RUTH; Milani, Alberto; Maschio, Lorenzo; Castiglioni, Chiara
Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF2CF(CF3)OCF2CH3) liquid as a test case
2017-01-01 Galimberti, Daria Ruth; Milani, Alberto; Gaigeot, MARIE-PIERRE; Radice, Stefano; Tonelli, Claudio; Picozzi, Rosaldo; Castiglioni, Chiara
The contribution of surfaces to the Raman spectrum of snow
2020-01-01 Maggiore, E.; Galimberti, D. R.; Tommasini, M.; Gaigeot, M. -P.; Ossi, P. M.
Digging into the friction reduction mechanism of organic friction modifiers on steel surfaces: Chains packing vs. molecule–metal interactions
2024-01-01 Villa, Nicolò S.; Bonoldi, Lucia; Assanelli, Giulio; Notari, Marcello; Lucotti, Andrea; Tommasini, Matteo; Cuppen, Herma M.; Galimberti, Daria R.
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