Umberto Raucci

According to our database, Umberto Raucci authored at least 7 papers between 2017 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations.

Dhiman Ray, Sudip Das, Umberto Raucci

J. Chem. Inf. Model., 2024

2021

Voice-controlled quantum chemistry.

Umberto Raucci, Alessio Valentini, Elisa Pieri, Hayley Weir, Stefan Seritan, Todd J. Martínez

Nat. Comput. Sci., 2021

A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study.

Bernardino Tirri, Gloria Mazzone, Alistar Ottochian, Jérôme Gomar, Umberto Raucci, Carlo Adamo, Ilaria Ciofini

J. Comput. Chem., 2021

2020

Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study.

Umberto Raucci, Fulvio Perrella, Greta Donati, Maria Zoppi, Alessio Petrone, Nadia Rega

J. Comput. Chem., 2020

Cover Image, Volume 41, Issue 26.

Umberto Raucci, Fulvio Perrella, Greta Donati, Maria Zoppi, Alessio Petrone, Nadia Rega

J. Comput. Chem., 2020

An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions.

Umberto Raucci, Maria Gabriella Chiariello, Federico Coppola, Fulvio Perrella, Marika Savarese, Ilaria Ciofini, Nadia Rega

J. Comput. Chem., 2020

2017

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study.

Marika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini

J. Comput. Chem., 2017