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IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6 1-gen-2013 GALIMBERTI, DARIA RUTHQUARTI, CLAUDIOMILANI, ALBERTOBRAMBILLA, LUIGICASTIGLIONI, CHIARA +
A revisitation of the polymorphism of poly(butylene-2,6-naphthalate) from periodic first-principles calculations 1-gen-2014 MILANI, ALBERTO
Polymorphism of Poly(butylene terephthalate) Investigated by Means of Periodic Density Functional Theory Calculations 1-gen-2014 MILANI, ALBERTOGALIMBERTI, DARIA RUTH
π-Conjugation and Endgroup Effects in Long Cumulenes: Raman Spectroscopy and DFT Calculations 1-gen-2014 TOMMASINI, MATTEO MARIA SAVERIOMILANI, ALBERTOFAZZI, DANIELELUCOTTI, ANDREACASTIGLIONI, CHIARA +
Crystal Structure and Vibrational Spectra of Poly(trimethylene terephthalate) from Periodic Density Functional Theory Calculations 1-gen-2014 GALIMBERTI, DARIA RUTHMILANI, ALBERTO
Polymorphism of even nylons revisited through periodic quantum chemical calculations 1-gen-2015 GALIMBERTI, DARIA RUTHQUARTI, CLAUDIOMILANI, ALBERTO
Chemical modification of Hyflon® AD copolymer end groups by means of physical and chemical treatments. A joint spectroscopic and quantum chemical investigation 1-gen-2015 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires 1-gen-2015 MILANI, ALBERTOTOMMASINI, MATTEO MARIA SAVERIORUSSO, VALERIALI BASSI, ANDREALUCOTTI, ANDREACASARI, CARLO SPARTACO +
Joint Experimental and Computational Investigation of the Structural and Spectroscopic Properties of Poly(vinylidene fluoride) Polymorphs 1-gen-2015 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Unpolarized and Polarized Raman Spectroscopy of Nylon-6 Polymorphs: A Quantum Chemical Approach 1-gen-2015 MILANI, ALBERTO
Intermolecular modulation of IR intensities in the solid state. the role of weak interactions in polyethylene crystal: A computational DFT study 1-gen-2016 GALIMBERTI, DARIA RUTHMILANI, ALBERTOCASTIGLIONI, CHIARA +
Vibrational Response of Methylammonium Lead Iodide: From Cation Dynamics to Phonon–Phonon Interactions 1-gen-2016 QUARTI, CLAUDIOGRANCINI, GIULIAPETROZZA, ANNAMARIAMILANI, ALBERTORUANI, GIAMPIERO +
Carbon-atom wires: 1-D systems with tunable properties 1-gen-2016 CASARI, CARLO SPARTACOTOMMASINI, MATTEO MARIA SAVERIOMILANI, ALBERTO +
Domino reaction for the controlled functionalization of sp2 carbon allotropes 1-gen-2017 V. BarberaA. MilaniL. BrambillaC. CastiglioniM. Galimberti
Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters 1-gen-2017 Milani, AlbertoTommasini, MatteoCastiglioni, Chiara +
Strain-dependent vibrational spectra and elastic modulus of poly(p-phenylene terephtalamide) from first-principles calculations 1-gen-2017 BRAMBILLA, LUIGIMARANO, CLAUDIAMILANI, ALBERTO +
Semiconductor-to-Metal Transition in Carbon-Atom Wires Driven by sp2 Conjugated End Groups 1-gen-2017 MILANI, ALBERTOTOMMASINI, MATTEO MARIA SAVERIOBARBIERI, VALENTINOLUCOTTI, ANDREARUSSO, VALERIACASARI, CARLO SPARTACO +
Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF2CF(CF3)OCF2CH3) liquid as a test case 1-gen-2017 Galimberti, Daria RuthMilani, AlbertoCastiglioni, Chiara +
Carbyne: from the elusive allotrope to stable carbon atom wires 1-gen-2018 Casari, C. S.Milani, A.
Bottom-Up Synthesis of Heteroatom-Doped Chiral Graphene Nanoribbons 1-gen-2018 A. MilaniM. Tommasini +
Mostrati risultati da 81 a 100 di 129
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