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6 results in Authors: Filippo Lipparini

Physical Chemistry

Working Paper

A Many-Body, Fully Polarizable Approach to QM/MM Simulations

Eleftherios Lambros, Filippo Lipparini, G. Andres Cisneros, Paesani Lab

Version 2 posted 05 October 2020

717

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Theoretical and Computational Chemistry

Working Paper

ddX: Polarizable Continuum Solvation from Small Molecules to Proteins

Michele Nottoli, Michael F. Herbst, Aleksandr Mikhalev, Abhinav Jha, Filippo Lipparini, Benjamin Stamm

Version 2 posted 06 June 2024

433

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Theoretical and Computational Chemistry

Working Paper

A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

Pierre-Francois Loos, Filippo Lipparini, Martial Boggio-Pasqua, Anthony Scemama, Denis Jacquemin

Version 1 posted 19 December 2019

349

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Physical Chemistry

Working Paper

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao

Version 1 posted 08 June 2020

402

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Theoretical and Computational Chemistry

Working Paper

From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

Shaima Hashem, Veronica Macaluso, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 07 June 2021

262

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Citations

Physical Chemistry

Working Paper

Trajectory Surface Hopping for a Polarizable Embedding QM/MM

Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, Mario Barbatti, Benedetta Mennucci

Version 1 posted 29 July 2022

336

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6 results in Filippo Lipparini in Authors: Filippo Lipparini

A Many-Body, Fully Polarizable Approach to QM/MM Simulations

ddX: Polarizable Continuum Solvation from Small Molecules to Proteins

A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

Trajectory Surface Hopping for a Polarizable Embedding QM/MM

6 results in Authors: Filippo Lipparini