Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Time-dependent calculations on systems of chemical interest: Dynamical and kinetic approaches
2016 Skouteris, Dimitrios
Time-dependent coupled-cluster for ultrafast spectroscopy
2023 Balbi, Alice
Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy
2020 Skeidsvoll, A. S.; Balbi, A.; Koch, H.
Time-dependent density functional theory for molecules in liquid solutions
2001 Cossi, M.; Barone, Vincenzo
Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy
2018 Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo
Time-resolved EPR investigation of oxygen and temperature effects on synthetic eumelanin
2010 Conti, F.; Panzella, L.; Napolitano, A.; D'Ischia, M.; Toffoletti, A.
Time-resolved EPR observation of synthetic eumelanin-superoxide radical pairs
2009 Toffoletti, A.; Conti, F.; Sandron, T.; Napolitano, A.; Panzella, L.; D'Ischia, M.
Titolo Short-Lived Quinonoid Species from 5,6-Dihydroxyindole Dimers en Route to Eumelanin Polymers: Integrated Chemical, Pulse Radiolytic, and Quantum Mechanical Investigation
2006 Pezzella, A; Panzella, L; Crescenzi, O; Napolitano, A; Navaratman, S; Edge, R; Land, E. J.; Barone, Vincenzo; D'Ischia, M.; D'Ischia, Marco
TM-LDA: Efficient online modeling of latent topic transitions in social media
2012 Wang, Yu; Agichtein, Eugene; Benzi, Michele
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
Toward a general protocol for the study of static and dynamic properties of hydrogen-bonded systems
1997 Barone, Vincenzo; Adamo, C.
Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional Coordinate
2016 Piserchia, Andrea; Barone, Vincenzo
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model
2010 A., Biancardi; Cappelli, Chiara; Mennucci, B; R., Cammi
Toward a reliable computational support to the spectroscopic characterization of excited state intramolecular proton transfer: [2,2'-bipyridine]-3,3'-diol as a test case
2003 Barone, Vincenzo; Palma, A.; Sanna, N.
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase
2012 Cappelli, Chiara; Bloino, J.; Lipparini, F.; Barone, Vincenzo
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model
2012 Egidi, Franco; Barone, Vincenzo; Bloino, Julien; Cappelli, Chiara
Toward an effective and reliable representation of solvent effects in the study of biochemical systems
1999 Rega, N.; Cossi, M.; Barone, Vincenzo; Pomelli, C. S.; Tomasi, J.
Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicals
2008 Barone, Vincenzo; I., Cacelli; A., Ferretti; M., Girlanda
Toward an integrated computational approach for the description of localized physico-chemical properties involving biomolecules
2008 Barone, Vincenzo; Brancato, Giuseppe; R., Improta
Toward an integrated computational approach to CW-ESR spectra of free radicals
2006 Barone, Vincenzo; A., Polimeno
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