Search research articles
Contact Us
Filters
Showing results (21-30 of 243) with videos related to
Page
of 25
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2013
Evaluating push-pull dye efficiency using TD-DFT and charge transfer indices
Gregorio García, Carlo Adamo, Ilaria Ciofini
Journal of Chemical Theory and Computation
|
March 19, 2026
Gaussian Charge-Based Electrostatic Embedding Scheme for Solid-State Excited-State Modeling
Alexandre Huguet, Ilaria Ciofini, Frédéric Labat
The Journal of Chemical Physics
|
October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study
Ilaria Ciofini, Carlo Adamo, Vincenzo Barone
The Journal of Chemical Physics
|
January 10, 2006
Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
I Ciofini, C Adamo, H Chermette
The Journal of Chemical Physics
|
July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators
Ilaria Ciofini, Francesc Illas, Carlo Adamo
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach
Liam Wilbraham, François-Xavier Coudert, Ilaria Ciofini
Journal of Chemical Theory and Computation
|
November 26, 2015
A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
Tangui Le Bahers, Carlo Adamo, Ilaria Ciofini
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 9, 2026
When Light Challenges Heat: Mechanistic Insights Into a Reaction Competing With Cadogan Cyclisation in Nitro-Perylenediimides
Manuel Pedrón Laserna, Ilaria Ciofini, Piétrick Hudhomme
The Journal of Physical Chemistry. A
|
April 21, 2010
Photophysical properties of 8-hydroxyquinoline-5-sulfonic acid as a function of the pH: a TD-DFT investigation
Tangui Le Bahers, Carlo Adamo, Ilaria Ciofini
The Journal of Physical Chemistry Letters
|
August 20, 2015
Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Working Example
Denis Jacquemin, Eric Brémond, Ilaria Ciofini, et al.
Page
of 25
Search research articles
Search
Showing results (21-30 of 243) with videos related to
Sort By:
Page
of 25
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2013
Evaluating push-pull dye efficiency using TD-DFT and charge transfer indices
Gregorio García, Carlo Adamo, Ilaria Ciofini
Journal of Chemical Theory and Computation
|
March 19, 2026
Gaussian Charge-Based Electrostatic Embedding Scheme for Solid-State Excited-State Modeling
Alexandre Huguet, Ilaria Ciofini, Frédéric Labat
The Journal of Chemical Physics
|
October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study
Ilaria Ciofini, Carlo Adamo, Vincenzo Barone
The Journal of Chemical Physics
|
January 10, 2006
Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
I Ciofini, C Adamo, H Chermette
The Journal of Chemical Physics
|
July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators
Ilaria Ciofini, Francesc Illas, Carlo Adamo
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach
Liam Wilbraham, François-Xavier Coudert, Ilaria Ciofini
Journal of Chemical Theory and Computation
|
November 26, 2015
A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
Tangui Le Bahers, Carlo Adamo, Ilaria Ciofini
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 9, 2026
When Light Challenges Heat: Mechanistic Insights Into a Reaction Competing With Cadogan Cyclisation in Nitro-Perylenediimides
Manuel Pedrón Laserna, Ilaria Ciofini, Piétrick Hudhomme
The Journal of Physical Chemistry. A
|
April 21, 2010
Photophysical properties of 8-hydroxyquinoline-5-sulfonic acid as a function of the pH: a TD-DFT investigation
Tangui Le Bahers, Carlo Adamo, Ilaria Ciofini
The Journal of Physical Chemistry Letters
|
August 20, 2015
Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Working Example
Denis Jacquemin, Eric Brémond, Ilaria Ciofini, et al.
Page
of 25