Sfoglia per Rivista CHEMPHYSCHEM
A parameter-free quantum mechanical approach to the calculation of electron transfer rates for large systems in solution
2006 R., Improta; Barone, Vincenzo; M. D., Newton
An ab-initio study of the magneto-optical rotation of diastereoisomers
2008 Kula, M; Cappelli, Chiara; Coriani, S; Rizzo, A.
Absorption Spectrum of A–T DNA Unraveled by Quantum Mechanical Calculations in Solution on the (dA)2•(dT)2 Tetramer
2008 F., Santoro; Barone, Vincenzo; R., Improta
Carbon nanorings: A challenge to theoretical chemistry
2006 Cuesta, I. García; Pedersen, T. B.; Koch, H.; Sánchez De Merás, A.
Cold Denaturation Unveiled: Molecular Mechanism of the Asymmetric Unfolding of Yeast Frataxin
2015 Sanfelice, Domenico; Morandi, Edoardo; Pastore, Annalisa; Niccolai, Neri; Temussi Piero, Andrea
Direct Prediction of EPR Spectra from Lipid Bilayers: Understanding Structure and Dynamics in Biological Membranes
2018 Catte, Andrea; White, Gaye F.; Wilson, Mark R.; Oganesyan, Vasily S.
Efficient Excited-State Symmetry Breaking in a Cationic Quadrupolar System Bearing Diphenylamino Donors
2016 Carlotti, Benedetta; Benassi, Enrico; Fortuna, Cosimo G; Barone, Vincenzo; Spalletti, Anna; Elisei, Fausto
Environmental Effects in Computational Spectroscopy: Accuracy and Interpretations
2010 A., Pedone; M., Biczysko; Barone, Vincenzo
Excitation dynamics in hetero-bichromophoric calixarene systems
2016 Tosi, Irene; SEGADO CENTELLAS, Mireia; Campioli, Elisa; Iagatti, Alessandro; Lapini, Andrea; Sissa, Cristina; Baldini, Laura; Cappelli, Chiara; Di Donato, Mariangela; Sansone, Francesco; Santoro, Fabrizio; Terenziani, Francesca
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a
2014 Barone, V.; Biczysko, M.; Borkowska-Panek, M.; Bloino, J.
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes
2016 Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik
Real-time amyloid aggregation monitoring with a photonic crystal-based approach
2013 Santi, Sara; Musi, Valeria; Descrovi, Emiliano; Paeder, Vincent; Di Francesco, Joab; Hvozdara, Lubos; Van Der Wal, Peter; Lashuel Hilal, A.; Pastore, Annalisa; Neier, Reinhard; Herzig Hans, Peter
Spectroscopic properties in the liquid phase: Combining high-level ab initio calculations and classical molecular dynamics
2006 Pavone, M; Brancato, Giuseppe; Morelli, G; Barone, Vincenzo
The interplay between p/p* and n/p* excited states in gas-phase thymine: a quantum dynamical study
2011 D., Picconi; Barone, Vincenzo; A., Lami; V, ; F., Santoro; R., Improta
Toward a complete understanding of the vinyl fluoride spectrum in the atmospheric region
2011 Tasinato, Nicola; Stoppa, Paolo; Charmet, Andrea Pietropolli; Giorgianni, Santi; Buffa, Giovanni; Gambi, Alberto
UV-Dissipation Mechanisms in the Eumelanin Building Block DHICA
2010 Huijser, A.; Pezzella, A.; Hannestad, J. K.; Panzella, L.; Napolitano, A.; D'Ischia, M.; Sundstroem, V.
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