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List of works by Gilles Frison

A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes

scientific article published on 01 February 2008

Acid-base thermochemistry of gaseous oxygen and sulfur substituted amino acids (Ser, Thr, Cys, Met)

scientific article published on 23 September 2011

Benchmarking DFT and TD-DFT Functionals for the Ground and Excited States of Hydrogen-Rich Peptide Radicals

scientific article published on 10 July 2014

Binding of Specialty Phosphines to Metals: Synthesis, Structure, and Solution Calorimetry of the Phosphirane Complex [PtMe2(iPrBABAR-Phos)2]

Combining gas phase electron capture and IRMPD action spectroscopy to probe the electronic structure of a metastable reduced organometallic complex containing a non-innocent ligand

scientific article published on 01 October 2015

Comparison between α- and β-carbonic anhydrases: can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?

scientific article published on 04 February 2011

Comparison of Microhydration Methods: Protonated Glycine as a Working Example

Csp2-Csp2 and Csp2-N Bond Formation in a One-Pot Reaction between N-Tosylhydrazones and Bromonitrobenzenes: An Unexpected Cyclization to Substituted Indole Derivatives

scientific article published on 5 December 2017

Csp2-N bond formation via ligand-free Pd-catalyzed oxidative coupling reaction of N-tosylhydrazones and indole derivatives.

scientific article

Dibenzophosphasemibullvalene

scientific article published on 01 August 2003

Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents

scientific article published on 25 January 2016

Dissociation channel dependence on peptide size observed in electron capture dissociation of tryptic peptides

scientific article published on 4 June 2011

Electron capture in charge-tagged peptides. Evidence for the role of excited electronic states

scientific article published on 18 September 2007

Electronic structural trends in divalent carbon compounds.

scientific article

Electronic structure trends in N-heterocyclic carbenes (NHCs) with varying number of nitrogen atoms and NHC-transition-metal bond properties.

scientific article published on 16 August 2013

Estimating π binding energy of N-heterocyclic carbenes: the role of polarization

scientific article published on 01 March 2015

Ground Electronic State of Peptide Cation Radicals: A Delocalized Unpaired Electron?

article published in 2011

H-atom loss and migration in hydrogen-rich peptide cation radicals: The role of chemical environment

article

Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state.

scientific article published on 5 January 2017

Improved Infrared Spectra Prediction by DFT from a New Experimental Database

scientific article

Insights into the Ochratoxin A/Aptamer Interactions on a Functionalized Silicon Surface by Fourier Transform Infrared and UV-Vis Studies

scientific article published on 09 November 2020

Iron and Cobalt Metallotropism in Remote-Substituted NHC Ligands: Metalation to Abnormal NHC Complexes or NHC Ring Opening

scientific article published on 19 September 2018

Metal-histidine-glutamate as a regulator of enzymatic cycles: a case study of carbonic anhydrase.

scientific article

Microbiological versus Chemical Reductive Sulfidation: An Experimental and Theoretical Study

scientific article published on 09 March 2021

Microhydration of Protonated Nα-Acetylhistidine: A Theoretical Approach

scientific article published on 7 August 2015

Multifaceted Study on a Cytochalasin Scaffold: Lessons on Reactivity, Multidentate Catalysis, and Anticancer Properties

scientific article published on 21 October 2018

One-Pot Synthesis of Metastable 2,5-Dihydrooxepines through Retro-Claisen Rearrangements: Method and Applications

scientific article published on 27 May 2019

Pincer versus pseudopincer: isomerism in palladium(II) complexes bearing κ(3)C,S,C ligands

scientific article published on 01 June 2014

Planar Chiral Phosphoric Acids with Biphenylene-Tethered Paracyclophane Scaffolds: Synthesis, Characterization, and Catalytic Screening

scientific article published on 06 October 2014

Quantum-Chemical Modeling of the First Steps of the Strecker Synthesis: From the Gas-Phase to Water Solvation

scientific article published on 22 January 2018

Revised Theoretical Model on Enantiocontrol in Phosphoric Acid Catalyzed H-Transfer Hydrogenation of Quinoline

scientific article published in February 2018

Stepwise syntheses of tri- and tetraphosphaporphyrinogens

scientific article published on 17 November 2011

Structure of Electronically Reduced N-Donor Bidentate Ligands and Their Heteroleptic Four-Coordinate Zinc Complexes: A Survey of Density Functional Theory Results

scientific article published on 22 May 2019

Structure of electron-capture dissociation fragments from charge-tagged peptides probed by tunable infrared multiple photon dissociation

scientific article

Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis

scientific article published on 14 February 2020

The CH by N Replacement Effects on the Aromaticity and Reactivity of Phosphinines

scientific article published on 01 July 1999

The alkylation mechanism of zinc-bound thiolates depends upon the zinc ligands

scientific article published on 20 August 2008

Tropad: a new ligand for the synthesis of water-stable paramagnetic [16+1]-electron rhodium and iridium complexes.

scientific article published in August 2003

Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms.

scientific article

Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species

scientific article published on 17 October 2014

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