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List of works by Giovanni Bistoni

13 C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes.

scientific article

Advances in Charge Displacement Analysis

scientific article published on 12 February 2016

Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes

scientific article published on 04 March 2015

Charge-displacement analysis of the interaction in the ammonia-noble gas complexes

scientific article published on 07 December 2011

Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry

scientific article published on 01 February 2015

Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers

scientific article published on 29 January 2019

Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach

scientific article published on 09 August 2019

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework

scientific article published on 26 August 2016

Disentanglement of donation and back-donation effects on experimental observables: a case study of gold-ethyne complexes

scientific article published on 05 September 2013

Dispersion Forces Drive the Formation of Uranium-Alkane Adducts

scientific article published on 13 January 2020

Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study

scientific article published on 13 December 2018

Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process

scientific article published on 01 December 2017

Formation of Agostic Structures Driven by London Dispersion

scholarly article by Qing Lu et al published 23 March 2018 in Angewandte Chemie International Edition

Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] Hydrogenase

scientific article published on 08 January 2020

Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy

scientific article published on 26 May 2021

HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †

scientific article published on 04 October 2019

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes† †Electronic supplementary information (ESI) available: Additional figures and DFT-optimized XYZ geometries for all the co

scientific article

Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne gem-Hydrogenation

scientific article published on 19 October 2020

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

scientific article published on 18 February 2019

Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.

scientific article

Local energy decomposition of coupled‐cluster interaction energies: Interpretation, benchmarks, and comparison with symmetry‐adapted perturbation theory

scientific article published in 2020

London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study

scientific article published on 08 April 2019

Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis

scientific article published on 3 April 2017

Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies

scientific article published on 15 February 2022

Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

scientific article published on 22 March 2017

Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study

scientific article published on 18 April 2019

Quantitative assessment of the carbocation/carbene character of the gold-carbene bond.

scientific article published on July 2015

Scalable and Highly Diastereo- and Enantioselective Catalytic Diels-Alder Reaction of α,β-Unsaturated Methyl Esters

scientific article published on 02 October 2018

Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy

scientific article published on 12 December 2014

Taming secondary benzylic cations in catalytic asymmetric S <sub>N</sub> 1 reactions

scientific article published on 19 October 2023

The first microsolvation step for furans: New experiments and benchmarking strategies

scientific article published on 01 April 2020

Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory

scientific article published on 21 June 2018

Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach

scientific article published on 12 June 2017

Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study

scientific article published on 3 November 2016

Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding

scientific article published on 24 November 2020

Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods ⬇️

scientific article published on 07 February 2020

Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method

scientific article published on 11 December 2019

When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+)

scientific article published on 28 August 2014

π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis.

scientific article published on 11 May 2016

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