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List of works by Giovanni Granucci

A computational study of the excited states of bilirubin IX

scientific article published on 31 May 2005

Absorption oscillator strengths for vibronic transitions of nppi Rydberg series in NO.

scientific article

Are azobenzenophanes rotation-restricted?

scientific article published in November 2005

Conical Intersections in Solution: A QM/MM Study Using Floating Occupation Semiempirical Configuration Interaction Wave Functions

scientific article published in May 2003

Critical appraisal of the fewest switches algorithm for surface hopping

scientific article published in April 2007

Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs.

scientific article published on 2 December 2016

Delocalization effects in singlet fission: Comparing models with two and three interacting molecules

scientific article published on 01 June 2020

Dynamics of acetone photodissociation: a surface hopping study

scientific article published on 5 November 2013

Energy Selection in Nonadiabatic Transitions

scientific article published on 18 December 2017

Gradients for configuration interaction energies with spin‐orbit coupling in a semiempirical framework ⬇️

scientific article published on 06 June 2011

Including quantum decoherence in surface hopping.

scientific article published on October 2010

Manipulating azobenzene photoisomerization through strong light-molecule coupling

scientific article published in Nature Communications

Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals

scientific article published on 01 January 2019

Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene: a computational study

scientific article published in May 2008

Photochemistry in the strong coupling regime: A trajectory surface hopping scheme

scientific article published on 01 July 2020

Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics

scientific article published in September 2010

Photodissociation dynamics of chlorine peroxide adsorbed on ice.

scientific article

Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation ⬇️

scientific article published on March 14, 2011

Semiempirical Hamiltonian for simulation of azobenzene photochemistry

scientific article published on 22 December 2011

Stochastic model for photoinduced anisotropy

scientific article

Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework

scientific article published on 29 November 2021

Surface hopping dynamics of direct trans → cis photoswitching of an azobenzene derivative in constrained adsorbate geometries

scientific article published on 21 December 2012

Surface hopping dynamics using a locally diabatic formalism: charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer

scientific article published on 01 December 2012

Surface hopping investigation of benzophenone excited state dynamics.

scientific article

Surface hopping trajectory simulations with spin-orbit and dynamical couplings

scientific article published on 01 December 2012

The chromophore of asFP595: a theoretical study

scientific article published in May 2006

The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model

scientific article published on 01 December 2014

The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics

scientific article published in May 2004

Theoretical study of the chemiluminescence of the Al + H2O reaction.

scientific article published on 28 December 2012

Unusual photochemical dynamics of a bridged azobenzene derivative

scientific article published on September 2010

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