List of works - Alessandro Lunghi

A unified picture of the covalent bond within quantum-accurate force fields: From organic molecules to metallic complexes' reactivity.

scientific article published on 31 May 2019

DFT magnetic characterization of a Fe4SMMs series: from isotropic exchange interactions to multi-spin zero field splitting

Di- and Triphosphate Recognition and Sensing with Mono- and Dinuclear Fluorescent Zinc(II) Complexes: Clues for the Design of Selective Chemosensors for Anions in Aqueous Media

scientific article published on 30 August 2016

First-Principles Investigation of Spin-Phonon Coupling in Vanadium-Based Molecular Spin Quantum Bits

scientific article published on 25 July 2019

Giant spin-phonon bottleneck effects in evaporable vanadyl-based molecules with long spin coherence

scientific article published on 3 August 2016

How do phonons relax molecular spins?

scientific article published on 27 September 2019

Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets.

scientific article published on 31 July 2017

Multiple spin-phonon relaxation pathways in a Kramer single-ion magnet

scientific article published on 01 November 2020

Probing Vibrational Symmetry Effects and Nuclear Spin Economy Principles in Molecular Spin Qubits

scientific article published on 11 December 2020

Single molecule magnets grafted on gold: magnetic properties from ab initio molecular dynamics

article

Solution structure of a pentachromium(ii) single molecule magnet from DFT calculations, isotopic labelling and multinuclear NMR spectroscopy

scientific article published on 14 December 2017

Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits.

scientific article published on 6 March 2017

The Origin of Magnetic Anisotropy and Single-Molecule Magnet Behavior in Chromium(II)-Based Extended Metal Atom Chains

scientific article published on 22 January 2020

The Role of Anisotropic Exchange in Single Molecule Magnets: A CASSCF/NEVPT2 Study of the Fe4 SMM Building Block [Fe2(OCH3)2(dbm)4] Dimer

The disclosure of mesoscale behaviour of a 3d-SMM monolayer on Au(111) through a multilevel approach.

scientific article published on 12 February 2018

The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets.

scientific article

Toward Mesoscale Properties of Self-Assembled Monolayers of SMM on Au(111): An Integrated Ad Hoc FF and DFT Study

Unveiling phonons in a molecular qubit with four-dimensional inelastic neutron scattering and density functional theory

scientific article published on 09 April 2020

cis-Pt I2(NH3)2: a reappraisal

scientific article published on 30 July 2015

List of works by Alessandro Lunghi