Jean‐Louis Heully - Publications, H-index & Citations

Jean‐Louis Heully

universite de toulouse

36H指数

105论文数

3.4K被引数

收录论文 36

发表时间

From complete to selected model spaces in determinant-based multi-reference second-order perturbation treatments

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-07-20

PREAI

Malrieu, Jean-Paul; Heully, Jean-Louis

Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy)3] 2+: Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N∧N)3]2+-Type Complexes toward Both Cis and Trans Photoproducts

INORGANIC CHEMISTRY

IF4.7

2020-08-18

OAAI

Soupart, Adrien; Alary, Fabienne; Heully, Jean-Louis; Elliott, Paul I. P.; Dixon, Isabelle M.

Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states

COORDINATION CHEMISTRY REVIEWS

IF23.5

2020-04-01

OAAI

Soupart, Adrien; Alary, Fabienne; Heully, Jean-Louis; Elliott, Paul I. P.; Dixon, Isabelle M.

On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods

INORGANICS

IF3

2020-02-19

OAAI

Soupart, Adrien; Alary, Fabienne; Heully, Jean-Louis; Dixon, Isabelle M.

Unravelling the Mechanism of Excited-State Interligand Energy Transfer and the Engineering of Dual Emission in [Ir(C∧N)2(N∧N)] Complexes

INORGANIC CHEMISTRY

IF4.7

2020-01-14

OAAI

Scattergood, Paul A.; Ranieri, Anna M.; Charalambou, Luke; Comia, Adrian; Ross, Daniel A. W.; Rice, Craig R.; Hardman, Samantha J. O.; Heully, Jean-Louis; Dixon, Isabelle M.; Massi, Massimiliano; Alary, Fabienne; Elliott, Paul I. P.

Towards integrated multi-sensor platform using dual electrochemical and optical detection for on-site pollutant detection in water

BIOSENSORS & BIOELECTRONICS

IF10.5

2019-05-01

OAAI

Belaidi, F. Sekli; Farouil, L.; Salvagnac, L.; Temple-Boyer, P.; Seguy, I.; Heully, J. L.; Alary, F.; Bedel-Pereira, E.; Launay, J.

Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry

INORGANIC CHEMISTRY

IF4.7

2018-03-06

OAAI

Soupart, Adrien; Alary, Fabienne; Heully, Jean-Louis; Elliott, Paul I. P.; Dixon, Isabelle M.

Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-11-28

OAAI

Talotta, Francesco; Heully, Jean-Louis; Alary, Fabienne; Dixon, Isabelle M.; Gonzalez, Leticia; Boggio-Pasqua, Martial

A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes

MOLECULES

IF4.6

2017-10-06

OAAI

Garcia, Juan Sanz; Talotta, Francesco; Alary, Fabienne; Dixon, Isabelle M.; Heully, Jean-Louis; Boggio-Pasqua, Martial

Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes

INORGANIC CHEMISTRY

IF4.7

2016-05-26

OAAI

Dixon, Isabelle M.; Boissard, Gauthier; Whyte, Hannah; Alary, Fabienne; Heully, Jean-Louis

Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

INORGANIC CHEMISTRY

IF4.7

2016-04-07

OAAI

Gottle, Adrien J.; Alary, Fabienne; Boggio-Pasqua, Martial; Dixon, Isabelle M.; Heully, Jean-Louis; Bahreman, Azadeh; Askes, Sven H. C.; Bonnet, Sylvestre

Establishing the Two-Photon Linkage lsomerization Mechanism in the Nitrosyl Complex trans-[RuCI(NO)(py)4]2+ by DFT and TDDFT

INORGANIC CHEMISTRY

IF4.7

2015-08-14

PREAI

Garcia, Juan Sanz; Alary, Fabienne; Boggio-Pasqua, Martial; Dixon, Isabelle M.; Malfant, Isabelle; Heully, Jean-Louis

Reversing the relative 3MLCT-3MC order in Fe(II) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe(II) complexes

DALTON TRANSACTIONS

IF3.3

2015-01-01

PREAI

Dixon, Isabelle M.; Alary, Fabienne; Boggio-Pasqua, Martial; Heully, Jean-Louis

Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

DALTON TRANSACTIONS

IF3.3

2014-08-28

PREAI

Dixon, I. M.; Khan, S.; Alary, F.; Boggio-Pasqua, M.; Heully, J. -L.

Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

INORGANIC CHEMISTRY

IF4.7

2014-06-16

PREAI

Goettle, Adrien J.; Alary, Fabienne; Dixon, Isabelle M.; Heully, Jean-Louis; Boggio-Pasqua, Martial

Chain ordering of regioregular polythiophene films through blending with a nickel bisdithiolene complex

APPLIED PHYSICS LETTERS

IF3.6

2014-03-10

PREAI

Hernandez-Maldonado, D.; Ramos, B.; Villeneuve-Faure, C.; Bedel-Pereira, E.; Seguy, I.; Sournia-Saquet, A.; Alary, F.; Heully, J. L.; Ching, K. I. Moineau-Chane

Phosphoryl Group as a Strong σ-Donor Anionic Phosphine-Type Ligand: A Combined Experimental and Theoretical Study on Long-Lived Room Temperature Luminescence of the [Ru(tpy)(bpy)(Ph2PO)]+ Complex

INORGANIC CHEMISTRY

IF4.7

2014-01-28

PREAI

Lebon, Emilie; Sylvain, Remy; Piau, Remi E.; Lanthony, Cloe; Pilme, Julien; Sutra, Pierre; Boggio-Pasqua, Martial; Heully, Jean-Louis; Alary, Fabienne; Juris, Alberto; Igau, Alain

The (N4C2)2- Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds

INORGANIC CHEMISTRY

IF4.7

2013-11-18

PREAI

Dixon, Isabelle M.; Alary, Fabienne; Boggio-Pasqua, Martial; Heully, Jean-Louis

Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core?

CHEMICAL COMMUNICATIONS

IF4.2

2012-01-01

PREAI

Lebon, Emilie; Bastin, Stephanie; Sutra, Pierre; Vendier, Laure; Piau, Remi E.; Dixon, Isabelle M.; Boggio-Pasqua, Martial; Alary, Fabienne; Heully, Jean-Louis; Igau, Alain; Juris, Alberto

Adiabatic Versus Nonadiabatic Photoisomerization in Photochromic Ruthenium Sulfoxide Complexes: A Mechanistic Picture from Density Functional Theory Calculations

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-05-27

PREAI

Goettle, Adrien J.; Dixon, Isabelle M.; Alary, Fabienne; Heully, Jean-Louis; Boggio-Pasqua, Martial

研究方向