List of works - Laura Falivene

A Mechanistically and Operationally Simple Route to Metal-N-Heterocyclic Carbene (NHC) Complexes

scientific article published on 05 February 2020

Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights

scientific article published on 21 December 2016

Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight

scientific article published on 25 February 2020

Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight

scientific article published on 21 February 2020

Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: A Tool for Molecular Mass Prediction

Cationic Bis‐N‐Heterocyclic Carbene (NHC) Ruthenium Complex: Structure and Application as Latent Catalyst in Olefin Metathesis

scientific article published on 11 September 2014

Chain Propagation and Termination Mechanisms for Polymerization of Conjugated Polar Alkenes by [Al]-Based Frustrated Lewis Pairs

Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

Control of Chain Walking by Weak Neighboring Group Interactions in Unsymmetrical Catalysts.

scientific article published on 20 December 2017

Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes

Cycloalkyl-based unsymmetrical unsaturated (U₂)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis

scientific article

Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes

scientific article published on 27 March 2014

Direct Synthesis of Telechelic Polyethylene by Selective Insertion Polymerization

scientific article published on 13 October 2016

Electronic bond tuning with heterocyclic carbenes

scientific article published on 01 May 2013

Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

scientific article published in May 2013

Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene

Exploring electronic and steric effects on the insertion and polymerization reactivity of phosphinesulfonato Pd(II) catalysts

scientific article published on 21 November 2013

Guidelines To Select the N-Heterocyclic Carbene for the Organopolymerization of Monomers with a Polar Group

High-performance pan-tactic polythioesters with intrinsic crystallinity and chemical recyclability

scientific article published on 19 August 2020

High-speed organocatalytic polymerization of a renewable methylene butyrolactone by a phosphazene superbase

How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?

scientific article published on 01 May 2013

In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes

scientific article published on 5 April 2016

In-operando elucidation of bimetallic CoNi nanoparticles during high-temperature CH 4 /CO 2 reaction

Inner-Sphere versus Outer-Sphere Coordination of BF4– in a NHC-Gold(I) Complex

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium(II) complexes

scientific article

Insights into the Halogen Oxidative Addition Reaction to Dinuclear Gold(I) Di(NHC) Complexes

scientific article published on 14 June 2016

Inverting the Diastereoselectivity of the Mukaiyama–Michael Addition with Graphite-Based Catalysts

Lewis pair polymerization by classical and frustrated Lewis pairs: acid, base and monomer scope and polymerization mechanism

scientific article published on 22 May 2012

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

scientific article published on 13 November 2015

Mechanism of Propylene Oxide Polymerization Promoted by N-Heterocyclic Olefins

Mechanism of the Transmetalation of Organosilanes to Gold

scientific article published on 10 September 2015

Mechanistic Insights into the Organopolymerization of N-Methyl N-Carboxyanhydrides Mediated by N-Heterocyclic Carbenes

Metal-Free Catalytic Asymmetric Fluorination of Keto Esters Using a Combination of Hydrogen Fluoride (HF) and Oxidant: Experiment and Computation

Multicomponent synthesis of unsymmetrical unsaturated N-heterocyclic carbene precursors and their related transition-metal complexes.

scientific article

Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+

Optically Pure C1-Symmetric Cyclic(alkyl)(amino)carbene Ruthenium Complexes for Asymmetric Olefin Metathesis

scientific article published on 13 November 2020

Organocatalytic Coupling of Bromo-Lactide with Cyclic Ethers and Carbonates to Chiral Bromo-Diesters: NHC or Anion Catalysis?

Organocatalytic conjugate-addition polymerization of linear and cyclic acrylic monomers by N-heterocyclic carbenes: mechanisms of chain initiation, propagation, and termination

scientific article published on 18 November 2013

Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.

scientific article published on 18 January 2016

Robust Cross-Linked Stereocomplexes and C60 Inclusion Complexes of Vinyl-Functionalized Stereoregular Polymers Derived from Chemo/Stereoselective Coordination Polymerization

scientific article published on 7 July 2016

Room-Temperature Synthesis of Tetra-ortho-Substituted Biaryls by NHC-Catalyzed Suzuki-Miyaura Couplings

scientific article published on 07 October 2011

Roughening of Copper (100) at Elevated CO Pressure: Cu Adatom and Cluster Formation Enable CO Dissociation

scientific article published on 23 October 2018

Ruthenium Olefin Metathesis Catalysts Containing Fluoride

SOMC-Designed Silica Supported Tungsten Oxo Imidazolin-2-iminato Methyl Precatalyst for Olefin Metathesis Reactions

scientific article published on 5 January 2017

SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

scientific article published on 27 June 2016

Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds

scientific article published on 26 October 2016

Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts

scientific article published on 4 April 2016

Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts

Single-Step Access to Long-Chain α,ω-Dicarboxylic Acids by Isomerizing Hydroxycarbonylation of Unsaturated Fatty Acids

Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand

article by Albert Poater et al published 2013 in Procedia Computer Science

Steric and Electronic Parameters of a Bulky yet Flexible N-Heterocyclic Carbene: 1,3-Bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

Structure–Activity Relationship To Screen Ni–Bisphosphine Complexes for the Oxidative Coupling of CO2 and Ethylene

Supramolecular Water Oxidation with Ru-bda-Based Catalysts

scientific article published on 05 November 2014

Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes

scientific article published on 16 October 2012

Synthesis and reactivity of [Au(NHC)(Bpin)] complexes

scientific article published on 01 June 2019

Synthesis of 3-Fluoro-3-aryl Oxindoles: Direct Enantioselective α Arylation of Amides

scientific article published on 06 February 2012

Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes

scientific article published on 27 February 2015

The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis

scientific article published on 15 October 2019

The Quest for Converting Biorenewable Bifunctional α-Methylene-γ-butyrolactone into Degradable and Recyclable Polyester: Controlling Vinyl-Addition/Ring-Opening/Cross-Linking Pathways.

scientific article published on 4 October 2016

Theoretical Attempts: “In Silico Olefin Metathesis”-How Can Computers Help in the Understanding of Metathesis Mechanisms and in Catalysts Development?

scientific article published on 2 May 2014

Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes

Towards the online computer-aided design of catalytic pockets

scientific article published on 02 September 2019

Tuning and Quantifying Steric and Electronic Effects ofN-Heterocyclic Carbenes

scientific article published on 12 July 2014

Unraveling the role of entropy in tuning unimolecular vs. bimolecular reaction rates: The case of olefin polymerization catalyzed by transition metals

article published in 2018

Unusual NHC-Iridium(I) Complexes and Their Use in the Intramolecular Hydroamination of Unactivated Aminoalkenes

scientific article published on 5 April 2016

Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators

[Pd(IPr*)(cinnamyl)Cl]: An Efficient Pre-catalyst for the Preparation of Tetra-ortho-substituted Biaryls by Suzuki-Miyaura Cross-Coupling

scientific article published on 13 March 2012

π-Face Donation from the Aromatic N-Substituent of N-Heterocyclic Carbene Ligands to Metal and Its Role in Catalysis

scientific article published on 04 May 2012

List of works by Laura Falivene

A Mechanistically and Operationally Simple Route to Metal-N-Heterocyclic Carbene (NHC) Complexes

Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights

Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight

Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight

Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: A Tool for Molecular Mass Prediction

Cationic Bis‐N‐Heterocyclic Carbene (NHC) Ruthenium Complex: Structure and Application as Latent Catalyst in Olefin Metathesis

Chain Propagation and Termination Mechanisms for Polymerization of Conjugated Polar Alkenes by [Al]-Based Frustrated Lewis Pairs

Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

Control of Chain Walking by Weak Neighboring Group Interactions in Unsymmetrical Catalysts.

Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes

Cycloalkyl-based unsymmetrical unsaturated (U₂)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis

Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes

Direct Synthesis of Telechelic Polyethylene by Selective Insertion Polymerization

Electronic bond tuning with heterocyclic carbenes

Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene

Exploring electronic and steric effects on the insertion and polymerization reactivity of phosphinesulfonato Pd(II) catalysts

Guidelines To Select the N-Heterocyclic Carbene for the Organopolymerization of Monomers with a Polar Group

High-performance pan-tactic polythioesters with intrinsic crystallinity and chemical recyclability

High-speed organocatalytic polymerization of a renewable methylene butyrolactone by a phosphazene superbase

How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?

In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes

In-operando elucidation of bimetallic CoNi nanoparticles during high-temperature CH 4 /CO 2 reaction

Inner-Sphere versus Outer-Sphere Coordination of BF4– in a NHC-Gold(I) Complex

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium(II) complexes

Insights into the Halogen Oxidative Addition Reaction to Dinuclear Gold(I) Di(NHC) Complexes

Inverting the Diastereoselectivity of the Mukaiyama–Michael Addition with Graphite-Based Catalysts

Lewis pair polymerization by classical and frustrated Lewis pairs: acid, base and monomer scope and polymerization mechanism

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

Mechanism of Propylene Oxide Polymerization Promoted by N-Heterocyclic Olefins

Mechanism of the Transmetalation of Organosilanes to Gold

Mechanistic Insights into the Organopolymerization of N-Methyl N-Carboxyanhydrides Mediated by N-Heterocyclic Carbenes

Metal-Free Catalytic Asymmetric Fluorination of Keto Esters Using a Combination of Hydrogen Fluoride (HF) and Oxidant: Experiment and Computation

Multicomponent synthesis of unsymmetrical unsaturated N-heterocyclic carbene precursors and their related transition-metal complexes.

Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+

Optically Pure C1-Symmetric Cyclic(alkyl)(amino)carbene Ruthenium Complexes for Asymmetric Olefin Metathesis

Organocatalytic Coupling of Bromo-Lactide with Cyclic Ethers and Carbonates to Chiral Bromo-Diesters: NHC or Anion Catalysis?

Organocatalytic conjugate-addition polymerization of linear and cyclic acrylic monomers by N-heterocyclic carbenes: mechanisms of chain initiation, propagation, and termination

Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.

Robust Cross-Linked Stereocomplexes and C60 Inclusion Complexes of Vinyl-Functionalized Stereoregular Polymers Derived from Chemo/Stereoselective Coordination Polymerization

Room-Temperature Synthesis of Tetra-ortho-Substituted Biaryls by NHC-Catalyzed Suzuki-Miyaura Couplings

Roughening of Copper (100) at Elevated CO Pressure: Cu Adatom and Cluster Formation Enable CO Dissociation

Ruthenium Olefin Metathesis Catalysts Containing Fluoride

SOMC-Designed Silica Supported Tungsten Oxo Imidazolin-2-iminato Methyl Precatalyst for Olefin Metathesis Reactions

SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds

Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts

Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts

Single-Step Access to Long-Chain α,ω-Dicarboxylic Acids by Isomerizing Hydroxycarbonylation of Unsaturated Fatty Acids

Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand

Steric and Electronic Parameters of a Bulky yet Flexible N-Heterocyclic Carbene: 1,3-Bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

Structure–Activity Relationship To Screen Ni–Bisphosphine Complexes for the Oxidative Coupling of CO2 and Ethylene

Supramolecular Water Oxidation with Ru-bda-Based Catalysts

Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes

Synthesis and reactivity of [Au(NHC)(Bpin)] complexes

Synthesis of 3-Fluoro-3-aryl Oxindoles: Direct Enantioselective α Arylation of Amides

Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes

The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis

The Quest for Converting Biorenewable Bifunctional α-Methylene-γ-butyrolactone into Degradable and Recyclable Polyester: Controlling Vinyl-Addition/Ring-Opening/Cross-Linking Pathways.

Theoretical Attempts: “In Silico Olefin Metathesis”-How Can Computers Help in the Understanding of Metathesis Mechanisms and in Catalysts Development?

Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes

Towards the online computer-aided design of catalytic pockets

Tuning and Quantifying Steric and Electronic Effects ofN-Heterocyclic Carbenes

Unraveling the role of entropy in tuning unimolecular vs. bimolecular reaction rates: The case of olefin polymerization catalyzed by transition metals

Unusual NHC-Iridium(I) Complexes and Their Use in the Intramolecular Hydroamination of Unactivated Aminoalkenes

Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators

[Pd(IPr*)(cinnamyl)Cl]: An Efficient Pre-catalyst for the Preparation of Tetra-ortho-substituted Biaryls by Suzuki-Miyaura Cross-Coupling

π-Face Donation from the Aromatic N-Substituent of N-Heterocyclic Carbene Ligands to Metal and Its Role in Catalysis