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Lista de obras de Marco Campetella

An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence

artículo científico publicado en 2016

Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phase

artículo científico publicado en 2020

Charge transfer excitations in TDDFT: A ghost-hunter index

artículo científico publicado en 2017

Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization

artículo científico publicado en 2015

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

artículo científico publicado en 2017

Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: an x-ray and computational study of 2-methoxyethylammonium nitrate

scientific article published on 01 May 2013

Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulations

artículo científico publicado en 2019

Excited state tracking during the relaxation of coordination compounds

scientific article published on 23 February 2019

Following the evolution of excited states along photochemical reaction pathways

artículo científico publicado en 2020

Glue function of optimally and overdoped cuprates from inversion of the Raman spectra ⬇️

artículo científico publicado en 2016

How are the charge transfer descriptors affected by the quality of the underpinning electronic density?

artículo científico publicado en 2018

Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations

artículo científico publicado en 2018

Interaction and dynamics of ionic liquids based on choline and amino acid anions

artículo científico publicado en 2015

Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

artículo científico publicado en 2016

Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics.

artículo científico publicado en 2016

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

scientific article published on 01 September 2015

Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques

artículo científico publicado en 2018

Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons

artículo científico publicado en 2016

Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

artículo científico publicado en 2016

Two different models to predict ionic-liquid diffraction patterns: fixed-charge versus polarizable potentials

artículo científico publicado en 2014

Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

artículo científico publicado en 2017

Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test Case.

artículo científico publicado en 2017

Using density based indexes to characterize excited states evolution

artículo científico publicado en 2018

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