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Charge-displacement analysis for excited states

Published:2014-02-07 Issue:5 Volume:140 Page:054110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ronca Enrico,Pastore Mariachiara,Belpassi Leonardo,De Angelis Filippo,Angeli Celestino,Cimiraglia Renzo,Tarantelli Francesco

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4863411

Reference174 articles.

1. Electron Transfer-from Isolated Molecules to Biomolecules

2. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture

3. Dynamics of Photoinduced Charge Transfer and Hole Transport in Synthetic DNA Hairpins

4. Long-Distance Charge Transport in DNA: The Hopping Mechanism

5. Electron Transfer Between Bases in Double Helical DNA

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1. Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations;Physical Chemistry Chemical Physics;2024

2. Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties;Journal of Chemical Theory and Computation;2023-12-12

3. Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States;Physical Review X;2020-12-02

4. A comprehensive, self‐contained derivation of the one‐body density matrices from single‐reference excited‐state calculation methods using the equation‐of‐motion formalism;International Journal of Quantum Chemistry;2020-01-23

5. Charge Displacement Analysis—A Tool to Theoretically Characterize the Charge Transfer Contribution of Halogen Bonds;Molecules;2020-01-11

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