Marek Pederzoli

发表

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Pavlo O. Dral, Ljiljana Stojanović, M. Barbatti, 2022, Journal of chemical theory and computation.

Cis-trans photoisomerization of azobenzene upon excitation to the S1 state: an ab initio molecular dynamics and QM/MM study

Mario Barbatti, Jiří Pittner, Marek Pederzoli, 2012, Other Conferences.

Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state.

M. Barbatti, J. Pittner, H. Lischka, 2011, The journal of physical chemistry. A.

Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics.

J. Pittner, L. Cwiklik, Mojmír Kývala, 2019, Journal of chemical theory and computation.

Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy

Hans Lischka, Mario Barbatti, Jiří Pittner, 2010 .

Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study.

Hans Lischka, Mario Barbatti, Marek Pederzoli, 2014, Journal of chemical theory and computation.

Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics–Molecular Mechanics Studies

J. Pittner, O. Tichý, J. Burda, 2023, Journal of chemical theory and computation.

Ab initio molecular dynamics with non-adiabatic and spin-orbit effects applied to time-dependent fluorescence

Marek Pederzoli, 2019 .

A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene.

J. Pittner, Marek Pederzoli, 2017, The Journal of chemical physics.

Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers.

J. Pittner, L. Cwiklik, Mojmír Kývala, 2021, The journal of physical chemistry. B.

Fluorescence of PRODAN in water: A computational QM/MM MD study

K. Kowalski, J. Pittner, L. Cwiklik, 2014 .

Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state.

M. Barbatti, J. Pittner, H. Lischka, 2011, The journal of physical chemistry. A.