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Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
Journal of Computational Chemistry
|
February 20, 2020
Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states
Alistar Ottochian, Carmela Morgillo, Ilaria Ciofini, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2025
Mechanistic insights on hydrazones synthesis: a combined theoretical and experimental study
Nissrine Al Assaad, Alain Chamayou, Rachel Calvet, et al.
The Journal of Physical Chemistry. A
|
May 17, 2024
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors
Feven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, et al.
Journal of Computational Chemistry
|
August 16, 2023
Concerted versus stepwise proton transfer reactions in the [2, 2'-bipyridyl]-3-3'-diol molecule: A static and dynamic ab-initio investigation
Lorenzo Briccolani-Bandini, Eric Brémond, Marco Pagliai, et al.
Angewandte Chemie (International Ed. in English)
|
July 3, 2015
Transition-Metal-Free α-Arylation of Enolizable Aryl Ketones and Mechanistic Evidence for a Radical Process
Martin Pichette Drapeau, Indira Fabre, Laurence Grimaud, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 9, 2016
Multiple Roles of Isocyanides in Palladium-Catalyzed Imidoylative Couplings: A Mechanistic Study
Luca A Perego, Paul Fleurat-Lessard, Laurent El Kaïm, et al.
Molecules (Basel, Switzerland)
|
November 11, 2022
Copper-Catalyzed Homocoupling of Boronic Acids: A Focus on B-to-Cu and Cu-to-Cu Transmetalations
Aude Salamé, Jordan Rio, Ilaria Ciofini, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 12, 2005
Photoinduced processes within compact dyads based on triphenylpyridinium-functionalized bipyridyl complexes of ruthenium(II)
Philippe P Lainé, Ilaria Ciofini, Philippe Ochsenbein, et al.
Faraday Discussions
|
September 29, 2015
Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding
S Chevreux, C Allain, L Wilbraham, et al.
Page
of 25
Search research articles
Search
Showing results (141-150 of 243) with videos related to
Sort By:
Page
of 25
Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
Journal of Computational Chemistry
|
February 20, 2020
Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states
Alistar Ottochian, Carmela Morgillo, Ilaria Ciofini, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2025
Mechanistic insights on hydrazones synthesis: a combined theoretical and experimental study
Nissrine Al Assaad, Alain Chamayou, Rachel Calvet, et al.
The Journal of Physical Chemistry. A
|
May 17, 2024
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors
Feven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, et al.
Journal of Computational Chemistry
|
August 16, 2023
Concerted versus stepwise proton transfer reactions in the [2, 2'-bipyridyl]-3-3'-diol molecule: A static and dynamic ab-initio investigation
Lorenzo Briccolani-Bandini, Eric Brémond, Marco Pagliai, et al.
Angewandte Chemie (International Ed. in English)
|
July 3, 2015
Transition-Metal-Free α-Arylation of Enolizable Aryl Ketones and Mechanistic Evidence for a Radical Process
Martin Pichette Drapeau, Indira Fabre, Laurence Grimaud, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 9, 2016
Multiple Roles of Isocyanides in Palladium-Catalyzed Imidoylative Couplings: A Mechanistic Study
Luca A Perego, Paul Fleurat-Lessard, Laurent El Kaïm, et al.
Molecules (Basel, Switzerland)
|
November 11, 2022
Copper-Catalyzed Homocoupling of Boronic Acids: A Focus on B-to-Cu and Cu-to-Cu Transmetalations
Aude Salamé, Jordan Rio, Ilaria Ciofini, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 12, 2005
Photoinduced processes within compact dyads based on triphenylpyridinium-functionalized bipyridyl complexes of ruthenium(II)
Philippe P Lainé, Ilaria Ciofini, Philippe Ochsenbein, et al.
Faraday Discussions
|
September 29, 2015
Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding
S Chevreux, C Allain, L Wilbraham, et al.
Page
of 25