![]() The Journal of Physical Chemistry A 2015, 119 Exploration of Excited State Deactivation Pathways of Adenine Monohydrates. Sermsiri Chaiwongwattana, Marin Sapunar, Aurora Ponzi, Piero Decleva, and Nađa Došlić.Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases. Roberto Improta, Fabrizio Santoro, and Lluís Blancafort.Journal of Chemical Theory and Computation 2017, 13 Analytical Derivative Coupling for Multistate CASPT2 Theory. The Journal of Physical Chemistry B 2017, 121 Ultrafast Nuclear Dynamics of Photoexcited Guanosine-5′-Monophosphate in Three Singlet States. On-the-Fly CASPT2 Surface-Hopping Dynamics. Ab Initio Nonadiabatic Quantum Molecular Dynamics. Multireference Approaches for Excited States of Molecules. Hans Lischka, Dana Nachtigallová, Adélia J.Ī.Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics. Journal of Chemical Theory and Computation 2019, 15 metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics. Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials. Sifain, Yu Zhang, Benjamin Nebgen, Sebastian Fernandez-Alberti, Dmitry Mozyrsky, Adrian E. Journal of Chemical Theory and Computation 2020, 16 Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2. Multireference Electron Correlation Methods: Journeys along Potential Energy Surfaces. MacLeod, Toru Shiozaki, Bess Vlaisavljevich. ![]() ![]() Jae Woo Park, Rachael Al-Saadon, Matthew K.The Journal of Physical Chemistry A 2020, 124 Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Adalberto Vasconcelos Sanches de Araújo, Danillo Valverde, Sylvio Canuto, Antonio Carlos Borin.The Journal of Physical Chemistry A 2021, 125 Ultrafast Dynamics of the Isolated Adenosine-5′-triphosphate Dianion Probed by Time-Resolved Photoelectron Imaging. Maria Elena Castellani, Davide Avagliano, Jan R. ![]() The Ultrafast Quantum Dynamics of Photoexcited Adenine–Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model. Green, Roberto Improta, Fabrizio Santoro. Journal of Chemical Theory and Computation 2022, 18 Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids.
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