RE.PUBLIC@POLIMI pubblicazioni di ricerca del Politecnico di Milano

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Hydrogen bonding effects in perfluorinated polyamides: an investigation based on infrared spectroscopy and density functional theory calculations 1-gen-2010 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Molecular charge distribution and charge fluxes from atomic polar tensors: the case of OH bonds 1-gen-2010 MILANI, ALBERTOCASTIGLIONI, CHIARAZERBI, GIUSEPPE +
Raman evidence of unusual electronic and molecular structures 1-gen-2010 CASTIGLIONI, CHIARAFAZZI, DANIELEMILANI, ALBERTOCANESI, ELEONORA VALERIABERTARELLI, CHIARA +
Modeling of molecular charge distribution on the basis of experimental infrared intensities andfirst-principles calculations: the case of CH bonds 1-gen-2010 MILANI, ALBERTOCASTIGLIONI, CHIARA
FT-IR spectroscopy and DFT calculations on flurinated macromers diols: IR intensities and association properties 1-gen-2010 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Fluorinated amides: Two dimensional (2D) FTIR and QM modeling studies 1-gen-2010 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Structural diagnosis of perfluorinated polymers for advanced applications: the joint use of vibrational spectroscopy and first-principles calculations 1-gen-2011 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Effect of chemical substitutions on singlet and triplet exciton ouplings in crystalline acenes: a theoretical investigation 1-gen-2011 QUARTI, CLAUDIOFAZZI, DANIELEMILANI, ALBERTODEL ZOPPO, MIRELLA ELVIRA ANGELA
First-Principles Simulations of IR Spectra of Polymers: Nylon-6 Polymorphs 1-gen-2011 MILANI, ALBERTOQUARTI, CLAUDIOCASTIGLIONI, CHIARA
Hydrogen Bonding in Fluorinated Amides: FTIR, Two Dimensional Correlation Spectroscopy and DFT Calculations 1-gen-2011 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Modulation of the electronic structure of polyconjugated organic molecules by geometry relaxation: A discussion based on local Raman parameters 1-gen-2011 CASTIGLIONI, CHIARAMILANI, ALBERTOFAZZI, DANIELE +
Coarse-Grained Simulations of Model Polymer Nanofibres 1-gen-2011 MILANI, ALBERTOCASALEGNO, MOSE'CASTIGLIONI, CHIARARAOS, GUIDO
Charge transfer and vibrational structure of sp-hybridized carbon atomic wires probed by surface enhanced Raman spectroscopy 1-gen-2011 MILANI, ALBERTOLUCOTTI, ANDREARUSSO, VALERIATOMMASINI, MATTEO MARIA SAVERIOCATALDO, FRANCESCOLI BASSI, ANDREACASARI, CARLO SPARTACO
Photogenerated cumulenic structure of adamantyl endcapped linear carbon chains: An experimental and computational investigation based on infrared spectroscopy 1-gen-2011 FAZZI, DANIELEMILANI, ALBERTOBRAMBILLA, LUIGIDEL ZOPPO, MIRELLA ELVIRA ANGELAZERBI, GIUSEPPE +
Coarse-Grained Molecular Dynamics Simulations of Nylon-6 Nanofibers 1-gen-2011 MILANI, ALBERTOCASALEGNO, MOSE'CASTIGLIONI, CHIARARAOS, GUIDO
Two Dimensional Correlation Vibrational Spectroscopy and QM modeling applied to the study of Fluorinated Polymers 1-gen-2011 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts 1-gen-2011 J. Marti RujasTERRANEO, GIANCARLOCASTIGLIONI, CHIARAMILANI, ALBERTOPILATI, TULLIO MARIAMETRANGOLO, PIERANGELORESNATI, GIUSEPPE +
Studio spettroscopico di strutture cumuleniche ottenute mediante fotoirraggiamento di catene lineari di carbonio 1-gen-2012 FAZZI, DANIELEMILANI, ALBERTOBRAMBILLA, LUIGIDEL ZOPPO, MIRELLA ELVIRA ANGELAZERBI, GIUSEPPE +
Ab Initio Calculation of the Crystalline Structure and IR Spectrum of Polymers: Nylon 6 Polymorphs 1-gen-2012 QUARTI, CLAUDIOMILANI, ALBERTOCASTIGLIONI, CHIARA +
Atomic charges from IR Intensity Parameters: Theory, Implementation and Application 1-gen-2012 MILANI, ALBERTOTOMMASINI, MATTEO MARIA SAVERIOCASTIGLIONI, CHIARA
Intramolecular and intermolecular OH. . .O and OH. . .F interactions in perfluoropolyethers with polar end groups: IR spectroscopy and first-principles calculations 1-gen-2012 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Studio computazionale, Raman e SERS di effetti di trasferimento di carica in di-fenil-poliini 1-gen-2012 TOMMASINI, MATTEO MARIA SAVERIOMILANI, ALBERTOLUCOTTI, ANDREARUSSO, VALERIALI BASSI, ANDREACASARI, CARLO SPARTACO +
Predictive modeling of the vibrational quenching in emitting lanthanides complexes 1-gen-2012 MILANI, ALBERTOBRAMBILLA, LUIGICASTIGLIONI, CHIARA +
Intramolecular interactions in polymethylenic chains with polar end groups: The spectroscopic signature 1-gen-2012 MILANI, ALBERTOCASTIGLIONI, CHIARABRAMBILLA, LUIGIZERBI, GIUSEPPE
Ultrafast spectroscopy of linear carbon chains: the case of dinaphthylpolyynes 1-gen-2013 SCOTOGNELLA, FRANCESCOMILANI, ALBERTOBRIDA, DANIELENEGRO, MATTEOSTAGIRA, SALVATOREVOZZI, CATERINA +
Ultrafast spectroscopy of linear carbon chains: the case of dinaphthylpolyynes 1-gen-2013 SCOTOGNELLA, FRANCESCOMILANI, ALBERTOBRIDA, DANIELEC. ManzoniNEGRO, MATTEOSTAGIRA, SALVATORE +
Structural and spectroscopic characterization of fluorinated dioxole based salts: a combined experimental and computational study 1-gen-2013 MILANI, ALBERTOCASTIGLIONI, CHIARA +
Infrared intensities and charge mobility in hydrogen bonded complexes 1-gen-2013 GALIMBERTI, DARIA RUTHMILANI, ALBERTOCASTIGLIONI, CHIARA
Ab Initio Calculation of the IR Spectrum of PTFE: Helical Symmetry and Defects 1-gen-2013 QUARTI, CLAUDIOMILANI, ALBERTOCASTIGLIONI, CHIARA
Charge mobility in molecules: Charge fluxes from second derivatives of the molecular dipole 1-gen-2013 GALIMBERTI, DARIA RUTHMILANI, ALBERTOCASTIGLIONI, CHIARA
IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6 1-gen-2013 GALIMBERTI, DARIA RUTHQUARTI, CLAUDIOMILANI, ALBERTOBRAMBILLA, LUIGICASTIGLIONI, CHIARA +
π-Conjugation and Endgroup Effects in Long Cumulenes: Raman Spectroscopy and DFT Calculations 1-gen-2014 TOMMASINI, MATTEO MARIA SAVERIOMILANI, ALBERTOFAZZI, DANIELELUCOTTI, ANDREACASTIGLIONI, CHIARA +
A revisitation of the polymorphism of poly(butylene-2,6-naphthalate) from periodic first-principles calculations 1-gen-2014 MILANI, ALBERTO
Crystal Structure and Vibrational Spectra of Poly(trimethylene terephthalate) from Periodic Density Functional Theory Calculations 1-gen-2014 GALIMBERTI, DARIA RUTHMILANI, ALBERTO
Polymorphism of Poly(butylene terephthalate) Investigated by Means of Periodic Density Functional Theory Calculations 1-gen-2014 MILANI, ALBERTOGALIMBERTI, DARIA RUTH
Joint Experimental and Computational Investigation of the Structural and Spectroscopic Properties of Poly(vinylidene fluoride) Polymorphs 1-gen-2015 MILANI, ALBERTOCASTIGLIONI, CHIARA +
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 +
Polymorphism of even nylons revisited through periodic quantum chemical calculations 1-gen-2015 GALIMBERTI, DARIA RUTHQUARTI, CLAUDIOMILANI, ALBERTO
Unpolarized and Polarized Raman Spectroscopy of Nylon-6 Polymorphs: A Quantum Chemical Approach 1-gen-2015 MILANI, ALBERTO
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 +
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 +
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 +
Strain-dependent vibrational spectra and elastic modulus of poly(p-phenylene terephtalamide) from first-principles calculations 1-gen-2017 BRAMBILLA, LUIGIMARANO, CLAUDIAMILANI, ALBERTO +
Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters 1-gen-2017 Milani, AlbertoTommasini, MatteoCastiglioni, Chiara +
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 +
Domino reaction for the controlled functionalization of sp2 carbon allotropes 1-gen-2017 V. BarberaA. MilaniL. BrambillaC. CastiglioniM. Galimberti
Carbyne: from the elusive allotrope to stable carbon atom wires 1-gen-2018 Casari, C. S.Milani, A.
Fingerprints of sp1 Hybridized C in the near-edge X-ray absorption spectra of surface-grown materials 1-gen-2018 Milani, AlbertoCasari, Carlo Spartaco +
Mostrati risultati da 51 a 100 di 129
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