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Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Journal of Chemical Theory and Computation
|
November 1, 2019
Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method
Leon Freitag, Yingjin Ma, Alberto Baiardi, et al.
Journal of Computational Chemistry
|
November 20, 2014
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2017
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation
Oliviero Cannelli, Tommaso Giovannini, Alberto Baiardi, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2012
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
Vincenzo Barone, Alberto Baiardi, Malgorzata Biczysko, et al.
Chirality
|
May 5, 2018
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions
Franco Egidi, Marco Fusè, Alberto Baiardi, et al.
The Journal of Chemical Physics
|
October 3, 2019
Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
Marco Mendolicchio, Alberto Baiardi, Giovanna Fronzoni, et al.
The Astronomical Journal
|
April 7, 2018
Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life
Cristina Puzzarini, Alberto Baiardi, Julien Bloino, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
The Journal of Physical Chemistry. A
|
August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 55) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Journal of Chemical Theory and Computation
|
November 1, 2019
Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method
Leon Freitag, Yingjin Ma, Alberto Baiardi, et al.
Journal of Computational Chemistry
|
November 20, 2014
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2017
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation
Oliviero Cannelli, Tommaso Giovannini, Alberto Baiardi, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2012
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
Vincenzo Barone, Alberto Baiardi, Malgorzata Biczysko, et al.
Chirality
|
May 5, 2018
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions
Franco Egidi, Marco Fusè, Alberto Baiardi, et al.
The Journal of Chemical Physics
|
October 3, 2019
Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
Marco Mendolicchio, Alberto Baiardi, Giovanna Fronzoni, et al.
The Astronomical Journal
|
April 7, 2018
Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life
Cristina Puzzarini, Alberto Baiardi, Julien Bloino, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
The Journal of Physical Chemistry. A
|
August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic, et al.
Page
of 6