Marika Savarese

Via Morego 30
Genoa, 16163, Italy

Last Updated: 09/26/2026

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Found 22 publications

Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics.

Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics.

Journal: Journal of chemical theory and computation

Published: February 07, 2022

Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine.

Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine.

Journal: The journal of physical chemistry letters

Published: November 03, 2020

Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study.

Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study.

Journal: Journal of chemical theory and computation

Published: May 12, 2020

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

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

Journal: Journal of computational chemistry

Published: March 04, 2020

Range-Separated Double-Hybrid Functional from Nonempirical Constraints.

Range-Separated Double-Hybrid Functional from Nonempirical Constraints.

Journal: Journal of chemical theory and computation

Published: June 21, 2018

Accuracy of TD-DFT Geometries: A Fresh Look.

Accuracy of TD-DFT Geometries: A Fresh Look.

Journal: Journal of chemical theory and computation

Published: June 09, 2018

Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases.

Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases.

Journal: Journal of chemical theory and computation

Published: October 05, 2017

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

Journal: The journal of physical chemistry. A

Published: September 13, 2017

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.

Journal: Journal of computational chemistry

Published: January 23, 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.

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.

Journal: Journal of computational chemistry

Published: December 16, 2016

Quadratic integrand double-hybrid made spin-component-scaled.

Quadratic integrand double-hybrid made spin-component-scaled.

Journal: The Journal of chemical physics

Published: April 03, 2016

Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules.

Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules.

Journal: Journal of chemical theory and computation

Published: January 06, 2016

Showing 1-12 of 22

Last Updated: 09/26/2026