Search filters

List of works by GiovanniMaria Piccini

Accurate Quantum Chemical Free Energies at Affordable Cost

scientific article published on 21 June 2019

Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations

scientific article published on 04 April 2019

Collective Variables from Local Fluctuations

scientific article published on 11 May 2018

Identifying Slow Molecular Motions in Complex Chemical Reactions.

scientific article published on 22 August 2017

Improving collective variables: The case of crystallization

scientific article published on 01 March 2019

Including dispersion in density functional theory for adsorption on flat oxide surfaces, in metal-organic frameworks and in acidic zeolites

scientific article published on 01 April 2020

Metadynamics with Discriminants: A Tool for Understanding Chemistry

scientific article published on 26 September 2018

Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic Activity

scientific article published on 19 February 2020

The reaction mechanism of the azide-alkyne Huisgen cycloaddition

scientific article published on 01 September 2019

Variational Flooding Study of a SN2 Reaction.

scientific article published on 10 January 2017

Paulina is supported by:

About Paulina

Help