Denis Jacquemin

Research.com Recognitions

• 2025 - Research.com Chemistry in France Leader Award
• 2022 - Research.com Chemistry in France Leader Award

Overview

Best Publications

• The calculations of excited-state properties with Time-Dependent Density Functional Theory

  Carlo Adamo;Carlo Adamo;Denis Jacquemin;Denis Jacquemin

  1972
  Citations

• TD-DFT benchmarks: A review

  Adèle D. Laurent;Denis Jacquemin;Denis Jacquemin

  1385
  Citations

• Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules.

  Denis Jacquemin;Valérie Wathelet;Eric A. Perpète;Carlo Adamo

  1216
  Citations

• TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

  Denis Jacquemin;Eric A. Perpète;Gustavo E. Scuseria;Ilaria Ciofini

  964
  Citations

• Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems†

  Benoît Champagne;and Eric A. Perpète;Denis Jacquemin;Stan J. A. van Gisbergen and

  605
  Citations

• Accurate simulation of optical properties in dyes.

  Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  534
  Citations

• TD-DFT Assessment of Functionals for Optical 0–0 Transitions in Solvated Dyes

  Denis Jacquemin;Aurélien Planchat;Carlo Adamo;Carlo Adamo;Benedetta Mennucci

  508
  Citations

• On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

  Denis Jacquemin;Eric A. Perpète;Ilaria Ciofini;Carlo Adamo

  484
  Citations

• Dye chemistry with time-dependent density functional theory

  Adèle D. Laurent;Carlo Adamo;Carlo Adamo;Denis Jacquemin;Denis Jacquemin

  415
  Citations

• Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments

  Denis Jacquemin;Benedetta Mennucci;Carlo Adamo

  413
  Citations

• Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives

  Julien Preat;Catherine Michaux;Denis Jacquemin;Eric A. Perpète

  408
  Citations

• Multiphotochromic molecular systems

  Arnaud Fihey;Aurélie Perrier;Aurélie Perrier;Wesley R Browne;Denis Jacquemin;Denis Jacquemin

  401
  Citations

• Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.

  Denis Jacquemin;Eric A. Perpète;Giovanni Scalmani;Michael J. Frisch

  352
  Citations

• What is the “best” atomic charge model to describe through-space charge-transfer excitations?

  Denis Jacquemin;Tangui Le Bahers;Carlo Adamo;Carlo Adamo;Ilaria Ciofini

  350
  Citations

• A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.

  Pierre-François Loos;Anthony Scemama;Aymeric Blondel;Yann Garniron

  337
  Citations

• Taking up the cyanine challenge with quantum tools.

  Boris Le Guennic;Denis Jacquemin;Denis Jacquemin

  306
  Citations

• Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT

  Azzam Charaf-Eddin;Aurélien Planchat;Benedetta Mennucci;Carlo Adamo;Carlo Adamo

  298
  Citations

• Thioindigo dyes: highly accurate visible spectra with TD-DFT.

  Denis Jacquemin;Julien Preat;Valérie Wathelet;Michèle Fontaine

  281
  Citations

• 0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

  Denis Jacquemin;Ivan Duchemin;Xavier Blase

  274
  Citations

• Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory

  Ilaria Ciofini;Tangui Le Bahers;Tangui Le Bahers;Carlo Adamo;Carlo Adamo;Fabrice Odobel

  269
  Citations