IL PORTALE per la RICERCA dei DIPARTIMENTI

Domenici V. (2013) "Actuation of Gold-Coated Liquid Crystal Elastomers"

E. Martinelli, Galli G. (2013) "An experimental investigation on the frictional drag characteristics of nanostructured and fluorinated fouling release-coatings using an axisymmetric body"

T. Biver (2013) "Anticancer Activity and DNA Binding of a Bifunctional Ru(II) Arene Aqua-Complex with the 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine ligand"

Claudio AMOVILLI (2013) "Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions"

Benedetta Mennucci (2013) "Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution"

Gabbiani C. (2013) "Butyltin(IV) benzoates: inhibition of thioredoxin reductase, tumor cell growth inhibition, and interactions with proteins"

Dolci S, Domenici V, Pampaloni G (2013) "Chemical–physical properties, morphology, and magnetic investigations on new cystine functionalized ultra-small super-paramagnetic iron-oxide nanoparticles"

Benedetta Mennucci (2013) "Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT"

A. Morelli, Galli G. (2013) "Composite Materials Containing Perfluorinated and Siloxane Units for Vertical Alignment of Liquid Crystals"

Carnimeo I (2013) "Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach"

Chiara Cappelli, Benedetta Mennucci (2013) "Conformational Analysis of Gly-Ala-NHMe in D2O and DMSO Solutions: a 2D-IR Study."

Gennaro Pescitelli (2013) "Cryptosporioptide: A bioactive polyketide produced by an endophytic fungus Cryptosporiopsis sp."

GIANNARELLI S, Beatrice Muscatello (2013) "Determination of Plant Hormone Indole-3-Acetic Acid in Aqueous Solution"

Stefano Caprasecca, Benedetta Mennucci (2013) "Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays"

Cappelli C (2013) "Duschinsky, Herzberg-Teller and Electronic Resonance Interferential Effects in the Resonance Raman Spectra and excitation profiles of Pyrene"

Cappelli C (2013) "Effective Time-Independent Studies on Resonance Raman Spectroscopy of Trans-stilbene including Duschinsky effect"

Gennaro Pescitelli (2013) "Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach"

Benedetta Mennucci (2013) "Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation"

AMOVILLI C (2013) "Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions"

Calisi N., Di Francesco F., Pucci A. (2013) "Factors affecting the dispersion of MWCNTs in electrically conducting SEBS nanocomposites"

Benedetta Mennucci (2013) "Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives"

Andreussi O (2013) "Identifying, By First-Principles Simulations, Cu[Amyloid-beta] Species Making Fenton-Type Reactions in Alzheimer's Disease"

Gennaro Pescitelli (2013) "Isolation and Characterization of Limonoids from Kigelia africana"

Gennaro Pescitelli (2013) "Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: Absolute configuration, and their estrogenic and anti-proliferative activity"

Valentina Domenici (2013) "Liquid single crystal elastomer/conducting polymer bilayer composite actuator: Modelling and experiments"

Geppi M. (2013) "Magic-Angle Spinning NMR of Cold Samples"

Chiellini F (2013) "Melt electrospinning writing of three-dimensional star poly(E-caprolactone) scaffolds"

Ruggeri G (2013) "Metal Nanostructures with Magnetic and Biodegradable Properties for Medical Applications"

Campanella B (2013) "Microwave Photochemical Reactor for the Online Oxidative Decomposition of p-Hydroxymercurybenzoate (pHMB)-Tagged Proteins and Their Determination by Cold Vapor Generation-Atomic Fluorescence Detection"

C. Duce, M.R. Tiné (2013) "Modeling of the acute toxicity of benzene derivatives by complementary QSAR methods"

Valentina Domenici (2013) "Molecular dynamics in a blue phase liquid crystal: a H-1 fast field-cycling NMR relaxometry study"

Benedetta Mennucci (2013) "On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor"

Benedetta Mennucci (2013) "On the Photophysics of Carotenoids: A Multireference DFT Study of Peridinin"

Domenici V (2013) "Optical properties of light-sensitive liquid-crystal elastomers in the vicinity of the nematic-paranematic phase transition"

Salvo P. (2013) "PDMS Selective Bonding for the Fabrication of Biocompatible All Polymer NC Microvalves"

Gabbiani (2013) "Peculiar features in the crystal structure of the adduct formed between cis-PtI2(NH3)2 and hen egg white lysozyme."

Erika Ribechini, Maria Perla Colombini (2013) "Positive and negative-mode laser desorption/ionization-mass spectrometry (LDI-MS) for the detection of indigoids in archaeological purple"

S. Ghimenti, F. Di Francesco, R. Fuoco (2013) "Post-operative elimination of sevoflurane anesthetic and hexafluoroisopropanol metabolite in exhaled breath:pharmacokinetic models for assessing liver function"

Sara Dolci, Guido Pampaloni, Valentina Domenici (2013) "Precursors of Magnetic Resonance Imaging Contrast Agents Based on Cystine-coated Iron-oxide Nanoparticles"

Domenici V (2013) "Reversible Heat-Induced Microwrinkling of PEDOT:PSS Nanofilm Surface Over a Monodomain Liquid Crystal Elastomer"

Marchetti F, Pampaloni G (2013) "Ring Opening Polymerization of rac-Lactide by Group 4 Tetracarbamato Complexes: Activation, Propagation and Role of The Metal"

Andreussi O (2013) "Self-consistent continuum solvation (SCCS): The case of charged systems"

Viani L, MENNUCCI B (2013) "Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex"

Silvia Borsacchi, Marco Geppi (2013) "Strong Intermolecular Ring Current Influence on1H Chemical Shifts in Two Crystalline Forms of Naproxen: a Combined Solid-State NMR and DFT Study"

Gabbiani C (2013) "The molecular mechanisms of antimetastatic ruthenium compounds explored through DIGE proteomics"

Degano I. (2013) "The oxidation of luteolin, the natural flavonoid dye"

Ilaria Bonaduce, Maria Perla Colombini (2013) "The role of organic and inorganic indoor pollutants in museum environments in the degradation of dammar varnish"

Granucci G., Persico M. (2013) "Theoretical study of the chemiluminescence of the Al + H2O reaction"

Pampaloni G., Raspolli Galletti A. (2013) "Titanium Complexes Bearing Carbamato Ligands as Catalytic Precursorsfor Propylene Polymerization Reactions"

Benedetta Mennucci (2013) "Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex"

Raspolli Galletti AM. (2013) "Two alternative routes for 1,2-cyclohexanediol synthesis by means of green processes: Cyclohexene dihydroxylation and catechol hydrogenation"

Cappelli C (2013) "Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model"