Alberto Baiardi
Alberto Baiardi
Email verificata su phys.chem.ethz.ch - Home page
TitoloCitata daAnno
General time dependent approach to vibronic spectroscopy including Franck–Condon, Herzberg–Teller, and Duschinsky effects
A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 9 (9), 4097-4115, 2013
1472013
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini
Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012
1172012
Aiming at an accurate prediction of vibrational and electronic spectra for medium‐to‐large molecules: an overview
J Bloino, A Baiardi, M Biczysko
International Journal of Quantum Chemistry 116 (21), 1543-1574, 2016
932016
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS‐Draw tool
D Licari, A Baiardi, M Biczysko, F Egidi, C Latouche, V Barone
Journal of computational chemistry 36 (5), 321-334, 2015
622015
Accurate simulation of Resonance-Raman spectra of flexible molecules: an internal coordinates approach
A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 11 (7), 3267-3280, 2015
402015
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects
A Baiardi, J Bloino, V Barone
The Journal of chemical physics 141 (11), 114108, 2014
392014
General formulation of vibronic spectroscopy in internal coordinates
A Baiardi, J Bloino, V Barone
The Journal of chemical physics 144 (8), 084114, 2016
342016
New developments of a multifrequency virtual spectrometer: stereo‐electronic, dynamical, and environmental effects on chiroptical spectra
V Barone, A Baiardi, J Bloino
Chirality 26 (9), 588-600, 2014
262014
Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
MH Palmer, T Ridley, SV Hoffmann, NC Jones, M Coreno, M De Simone, ...
The Journal of chemical physics 142 (13), 134302, 2015
242015
Vibrational density matrix renormalization group
A Baiardi, CJ Stein, V Barone, M Reiher
Journal of chemical theory and computation 13 (8), 3764-3777, 2017
152017
Simulation of vibronic spectra of flexible systems: hybrid DVR-harmonic approaches
A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 13 (6), 2804-2822, 2017
152017
Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
MH Palmer, T Ridley, S Vrønning Hoffmann, NC Jones, M Coreno, ...
The Journal of chemical physics 144 (20), 124302, 2016
152016
Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT …
MH Palmer, T Ridley, SV Hoffmann, NC Jones, M Coreno, M De Simone, ...
The Journal of chemical physics 143 (16), 164303, 2015
142015
The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations
MH Palmer, T Ridley, SV Hoffmann, NC Jones, M Coreno, M De Simone, ...
The Journal of chemical physics 142 (13), 134301, 2015
142015
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution:[Ru (bpy) 3] 2+ as a case study
A Baiardi, C Latouche, J Bloino, V Barone
Dalton Transactions 43 (47), 17610-17614, 2014
142014
Virtual eyes designed for quantitative spectroscopy of inorganic complexes: vibronic signatures in the phosphorescence spectra of terpyridine derivatives
C Latouche, A Baiardi, V Barone
The Journal of Physical Chemistry B 119 (24), 7253-7257, 2014
132014
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
F Egidi, DB Williams-Young, A Baiardi, J Bloino, G Scalmani, MJ Frisch, ...
Journal of chemical theory and computation 13 (6), 2789-2803, 2017
112017
Temperature dependence of radiative and nonradiative rates from time-dependent correlation function methods
S Banerjee, A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 12 (2), 774-786, 2016
102016
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2, 6-difluoropyridine: A combined experimental and theoretical assessment
A Baiardi, M Mendolicchio, V Barone, G Fronzoni, GA Cardenas Jimenez, ...
The Journal of chemical physics 143 (20), 204102, 2015
102015
Vibronic effects on rates of excitation energy transfer and their temperature dependence
S Banerjee, A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 12 (5), 2357-2365, 2016
82016
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20