Researcher Profile

Marco Garavelli

🏛 Dipartimento di Chimica Industriale, Università degli Studi di Bologna, Viale del Risorgimento 4, I-40136 Bologna, Italy

0000-0002-0796-289x

Publications

2,382

Citations

Co-Authors

Active Years

Publications

Open Access Journal Article Journal of Chemical Theory and Computation May 22, 2023

The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni · Ignacio Fdez. Galván · Ali Alavi · Flavia Aleotti +104 more

10.1021/acs.jctc.3c00182 311 citations

Open Access Journal Article Journal of Chemical Theory and Computation Jan 24, 2022

Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes

Francesco Montorsi · Francesco Segatta · Artur Nenov · Shaul Mukamel +1 more

10.1021/acs.jctc.1c00566 30 citations

Journal Article Journal of Molecular Structure Feb 01, 2021

Synthesis, physicochemical and vibrational spectral properties of 2–pyridone and 2–aminopyridine derivatives: An experimental and theoretical study

Reda M. Keshk · Marco Garavelli · Mohsen M.T. El–Tahawy

10.1016/j.molstruc.2020.129136 11 citations

Journal Article Physical Chemistry Chemical Physics Jan 01, 2020

First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases

Vishal K. Jaiswal · Javier Segarra-Martí · Marco Marazzi · Elena Zvereva +4 more

10.1039/d0cp01823f 17 citations

Journal Article Journal of the American Chemical Society Dec 04, 2019

Ultrafast Spectroscopy: State of the Art and Open Challenges

Margherita Maiuri · Marco Garavelli · Giulio Cerullo

10.1021/jacs.9b10533 385 citations

Journal Article The Journal of Physical Chemistry Letters Jan 28, 2015

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

Élise Dumont · Meilani Wibowo · Daniel Roca-Sanjuán · Marco Garavelli +2 more

10.1021/jz502562d 54 citations

Journal Article Journal of Computational Chemistry Nov 12, 2015

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Francesco Aquilante · Jochen Autschbach · Rebecca K. Carlson · Liviu F. Chibotaru +34 more

10.1002/jcc.24221 1,403 citations

Journal Article The Journal of Physical Chemistry A Nov 21, 2003

Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics

Martial Boggio-Pasqua · Marcella Ravaglia · Michael J. Bearpark · Marco Garavelli +1 more

10.1021/jp036862e 171 citations

Publication Timeline

2023

2022

2021

2020

2019

2015

2003

Frequent Co-Authors

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