Publications by authors named "Francesco Tarantelli"

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E
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions.
Matteo De Santis, Leonardo Belpassi, Christoph R Jacob, André Severo Pereira Gomes, Francesco Tarantelli

J Chem Theory Comput· September 2020

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Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds.
Francesca Nunzi, Giacomo Pannacci, Francesco Tarantelli, Leonardo Belpassi, David Cappelletti

Molecules· May 2020

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PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python.
Matteo De Santis, Loriano Storchi, Leonardo Belpassi, Harry M Quiney, Francesco Tarantelli

J Chem Theory Comput· April 2020

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BERTHA: Implementation of a four-component Dirac-Kohn-Sham relativistic framework.
Leonardo Belpassi, Matteo De Santis, Harry M Quiney, Francesco Tarantelli, Loriano Storchi

J Chem Phys· April 2020

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Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes.
Maria A Izquierdo, Francesco Tarantelli, Ria Broer, Giovanni Bistoni, Leonardo Belpassi

Eur J Inorg Chem· April 2020

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The Halogen-Bond Nature in Noble Gas-Dihalogen Complexes from Scattering Experiments and Ab Initio Calculations.
Francesca Nunzi, Benedetta Di Erasmo, Francesco Tarantelli, David Cappelletti, Fernando Pirani

Molecules· November 2019

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The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides.
Matteo De Santis, Sergio Rampino, Loriano Storchi, Leonardo Belpassi, Francesco Tarantelli

Inorg Chem· September 2019

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Chemical Bond Mechanism for Helium Revealed by Electronic Excitation.
Diego Cesario, Francesca Nunzi, Leonardo Belpassi, Fernando Pirani, Enrico Ronca, Francesco Tarantelli

J Phys Chem A· August 2019

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Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis.
Francesca Nunzi, Diego Cesario, Leonardo Belpassi, Francesco Tarantelli, Luiz F Roncaratti

Phys Chem Chem Phys· April 2019

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Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems.
Fernando Pirani, David Cappelletti, Stefano Falcinelli, Diego Cesario, Francesca Nunzi, Francesco Tarantelli

Angew Chem Int Ed Engl· March 2019

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Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis.
Luca Gregori, Diego Sorbelli, Leonardo Belpassi, Francesco Tarantelli, Paola Belanzoni

Inorg Chem· March 2019

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Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium.
Francesca Nunzi, Diego Cesario, Fernando Pirani, Leonardo Belpassi, Francesco Tarantelli

Chemphyschem· June 2018

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Ligand Effect on Bonding in Gold(III) Carbonyl Complexes.
Diego Sorbelli, Leonardo Belpassi, Francesco Tarantelli, Paola Belanzoni

Inorg Chem· May 2018

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Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory.
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, Jeremy N Harvey, Paola Belanzoni

Chemistry· April 2018

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T
The ligand effect on the oxidative addition of dioxygen to gold(i)-hydride complexes.
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, Jeremy N Harvey, Paola Belanzoni

Dalton Trans· September 2017

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Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond.
Francesca Nunzi, Diego Cesario, Fernando Pirani, Leonardo Belpassi, Gernot Frenking, Francesco Tarantelli

J Phys Chem Lett· July 2017

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Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis.
Carlo Alberto Gaggioli, Giovanni Bistoni, Gianluca Ciancaleoni, Francesco Tarantelli, Leonardo Belpassi

Chemistry· June 2017

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C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes.
Demian Marchione, Maria A Izquierdo, Giovanni Bistoni, Remco W A Havenith, Alceo Macchioni, Francesco Tarantelli

Chemistry· February 2017

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The gold(iii)-CO bond: a missing piece in the gold carbonyl complex landscape.
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, Paola Belanzoni

Chem Commun (Camb)· February 2017

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Dioxygen insertion into the gold(i)-hydride bond: spin orbit coupling effects in the spotlight for oxidative addition.
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, Daniele Zuccaccia, Jeremy N Harvey

Chem Sci· December 2016

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Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations.
David Cappelletti, Vincenzo Aquilanti, Alessio Bartocci, Francesca Nunzi, Francesco Tarantelli

J Phys Chem A· July 2016

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Ï€ Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis.
Giovanni Bistoni, Paola Belanzoni, Leonardo Belpassi, Francesco Tarantelli

J Phys Chem A· July 2016

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Advances in Charge Displacement Analysis.
Giovanni Bistoni, Leonardo Belpassi, Francesco Tarantelli

J Chem Theory Comput· March 2016

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How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes.
Giovanni Bistoni, Sergio Rampino, Nicola Scafuri, Gianluca Ciancaleoni, Daniele Zuccaccia, Francesco Tarantelli

Chem Sci· February 2016

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Ultrafast Molecular Three-Electron Auger Decay.
Raimund Feifel, John H D Eland, Richard J Squibb, Melanie Mucke, Sergey Zagorodskikh, Francesco Tarantelli

Phys Rev Lett· February 2016

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