Umberto Raucci

Orcid: 0000-0002-8219-224X

According to our database1, Umberto Raucci authored at least 7 papers between 2017 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Links

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Bibliography

2024
Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations.
J. Chem. Inf. Model., 2024

2021
Voice-controlled quantum chemistry.
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.
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.
J. Comput. Chem., 2020

Cover Image, Volume 41, Issue 26.
J. Comput. Chem., 2020

An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions.
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.
J. Comput. Chem., 2017


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