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Franco Egidi
Franco Egidi
SCM
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GaussianB16 Revision C. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc., Wallingford, CT, 2016
3206*2016
Gaussian 16 Revision C. 01, 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
15042016
Wallingford Ct
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 9, 2016
1352016
Gaussian 16, Revision A. 03, Gaussian, Inc, Wallingford, CtT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
1132016
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
982015
The optical rotation of methyloxirane in aqueous solution: a never ending story?
F Lipparini, F Egidi, C Cappelli, V Barone
Journal of Chemical Theory and Computation 9 (4), 1880-1884, 2013
912013
Real time propagation of the exact two component time-dependent density functional theory
JJ Goings, JM Kasper, F Egidi, S Sun, X Li
The Journal of chemical physics 145 (10), 2016
872016
G16_C01. Gaussian 16, Revision C. 01, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallin 248, 2016
862016
A robust and effective time-independent route to the calculation of resonance raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg …
F Egidi, J Bloino, C Cappelli, V Barone
Journal of chemical theory and computation 10 (1), 346-363, 2014
822014
Two-component noncollinear time-dependent spin density functional theory for excited state calculations
F Egidi, S Sun, JJ Goings, G Scalmani, MJ Frisch, X Li
Journal of Chemical Theory and Computation 13 (6), 2591-2603, 2017
802017
Gaussian 16, Revision C. 01. Gaussian, Inc., Wallingford CT. 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2016
772016
Molecular spectroscopy of aqueous solutions: a theoretical perspective
T Giovannini, F Egidi, C Cappelli
Chemical Society Reviews 49 (16), 5664-5677, 2020
632020
Direct atomic-orbital-based relativistic two-component linear response method for calculating excited-state fine structures
F Egidi, JJ Goings, MJ Frisch, X Li
Journal of chemical theory and computation 12 (8), 3711-3718, 2016
622016
Gaussian Inc 16, revision A. 03
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, 2016
612016
Montgomery, Jr
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
A, JE Peralta, F. Ogliaro, MJ Bearpark, JJ Heyd, EN Brothers, KN Kudin, VN …, 2003
582003
Toward an accurate modeling of optical rotation for solvated systems: Anharmonic vibrational contributions coupled to the polarizable continuum model
F Egidi, V Barone, J Bloino, C Cappelli
Journal of Chemical Theory and Computation 8 (2), 585-597, 2012
542012
General strategy for computing nonlinear optical properties of large neutral and cationic organic chromophores in solution
E Benassi, F Egidi, V Barone
The Journal of Physical Chemistry B 119 (7), 3155-3173, 2015
512015
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation
PJ Lestrange, F Egidi, X Li
The Journal of Chemical Physics 143 (23), 2015
472015
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
T Giovannini, M Macchiagodena, M Ambrosetti, A Puglisi, P Lafiosca, ...
International Journal of Quantum Chemistry 119 (1), e25684, 2019
432019
Polarizable embedding approach for the analytical calculation of Raman and Raman optical activity spectra of solvated systems
T Giovannini, M Olszowka, F Egidi, JR Cheeseman, G Scalmani, ...
Journal of Chemical Theory and Computation 13 (9), 4421-4435, 2017
432017
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Artiklar 1–20