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Journal of Chemical Theory and Computation
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November 20, 2015
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story?
Filippo Lipparini, Franco Egidi, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
May 10, 2015
Origin invariance in vibrational resonance Raman optical activity
Luciano N Vidal, Franco Egidi, Vincenzo Barone, et al.
Journal of Chemical Theory and Computation
|
July 9, 2016
Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures
Franco Egidi, Joshua J Goings, Michael J Frisch, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2021
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO<sub>2</sub><sup></sup>
Lina Uribe, Sara Gómez, Tommaso Giovannini, et al.
Journal of Chemical Information and Modeling
|
February 6, 2023
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA
Sara Gómez, Piero Lafiosca, Franco Egidi, et al.
The Journal of Chemical Physics
|
June 28, 2013
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: the case of phenyl radical
Vincenzo Barone, Malgorzata Biczysko, Julien Bloino, et al.
The Journal of Chemical Physics
|
May 4, 2021
A polarizable three-layer frozen density embedding/molecular mechanics approach
Franco Egidi, Sara Angelico, Piero Lafiosca, et al.
Journal of Chemical Theory and Computation
|
December 18, 2023
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems
Piero Lafiosca, Federico Rossi, Franco Egidi, et al.
The Journal of Chemical Physics
|
December 16, 2014
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule
Franco Egidi, Mireia Segado, Henrik Koch, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol
Franco Egidi, Tommaso Giovannini, Matteo Piccardo, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 34) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
November 20, 2015
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story?
Filippo Lipparini, Franco Egidi, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
May 10, 2015
Origin invariance in vibrational resonance Raman optical activity
Luciano N Vidal, Franco Egidi, Vincenzo Barone, et al.
Journal of Chemical Theory and Computation
|
July 9, 2016
Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures
Franco Egidi, Joshua J Goings, Michael J Frisch, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2021
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO<sub>2</sub><sup></sup>
Lina Uribe, Sara Gómez, Tommaso Giovannini, et al.
Journal of Chemical Information and Modeling
|
February 6, 2023
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA
Sara Gómez, Piero Lafiosca, Franco Egidi, et al.
The Journal of Chemical Physics
|
June 28, 2013
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: the case of phenyl radical
Vincenzo Barone, Malgorzata Biczysko, Julien Bloino, et al.
The Journal of Chemical Physics
|
May 4, 2021
A polarizable three-layer frozen density embedding/molecular mechanics approach
Franco Egidi, Sara Angelico, Piero Lafiosca, et al.
Journal of Chemical Theory and Computation
|
December 18, 2023
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems
Piero Lafiosca, Federico Rossi, Franco Egidi, et al.
The Journal of Chemical Physics
|
December 16, 2014
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule
Franco Egidi, Mireia Segado, Henrik Koch, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol
Franco Egidi, Tommaso Giovannini, Matteo Piccardo, et al.
Page
of 4