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Journal of Chemical Theory and Computation
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April 14, 2017
A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer-Draw Graphical Interface
Davide Presti, Alfonso Pedone, Daniele Licari, et al.
Journal of Chemical Theory and Computation
|
April 25, 2017
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures
Marco Mendolicchio, Emanuele Penocchio, Daniele Licari, et al.
Journal of Chemical Theory and Computation
|
July 26, 2017
VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra
Daniele Licari, Nicola Tasinato, Lorenzo Spada, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 16, 2014
Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin-Mg(II)/Al(III) complexes
Luciano Carta, Malgorzata Biczysko, Julien Bloino, 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
|
February 8, 2013
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
Vincenzo Barone, Ivo Cacelli, Nicola De Mitri, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
Towards the SMART workflow system for computational spectroscopy
Daniele Licari, Marco Fusè, Andrea Salvadori, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 14, 2017
A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer-Draw Graphical Interface
Davide Presti, Alfonso Pedone, Daniele Licari, et al.
Journal of Chemical Theory and Computation
|
April 25, 2017
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures
Marco Mendolicchio, Emanuele Penocchio, Daniele Licari, et al.
Journal of Chemical Theory and Computation
|
July 26, 2017
VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra
Daniele Licari, Nicola Tasinato, Lorenzo Spada, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 16, 2014
Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin-Mg(II)/Al(III) complexes
Luciano Carta, Malgorzata Biczysko, Julien Bloino, 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
|
February 8, 2013
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
Vincenzo Barone, Ivo Cacelli, Nicola De Mitri, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
Towards the SMART workflow system for computational spectroscopy
Daniele Licari, Marco Fusè, Andrea Salvadori, et al.
Page
of 1