Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study

Multi-Pathway Excited State Relaxation of Adenine Oligomers in Aqueous Solution: A Joint Theoretical and Experimental Study

(2013) Akos Banyasz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theory and calculation for the electronic coupling in excitation energy transfer

(2013) Zhi-Qiang You et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Benchmark Studies on the Building Blocks of DNA. 3. Watson–Crick and Stacked Base Pairs

(2013) Péter G. Szalay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Benchmark of Excitonic Couplings Derived from Atomic Transition Charges

(2013) Kurt A. Kistler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

(2012) Felix Plasser et al.   Journal of Chemical Theory and Computation

Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region

(2012) Péter G. Szalay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions

(2012) Felix Plasser et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic Excitation Energy Transfer between Nucleobases of Natural DNA

(2012) Ignacio Vayá et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range exciton dissociation in organic solar cells

(2012) D. Caruso et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance

(2011) Shervin Fatehi et al.   JOURNAL OF CHEMICAL PHYSICS

Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phase

(2011) Michele Pavanello et al.   JOURNAL OF CHEMICAL PHYSICS

The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study

(2010) Adélia J. A. Aquino et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fluorescence of DNA Duplexes: From Model Helices to Natural DNA

(2010) Dimitra Markovitsi et al.   Journal of Physical Chemistry Letters

Fluorescence of Natural DNA: From the Femtosecond to the Nanosecond Time Scales

(2010) Ignacio Vayá et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Electronic Couplings in Electron Transfer and Excitation Energy Transfer

(2009) Chao-Ping Hsu   ACCOUNTS OF CHEMICAL RESEARCH

Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models

(2009) A. V. Luzanov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions

(2009) Joseph E. Subotnik et al.   JOURNAL OF CHEMICAL PHYSICS

“Bright” and “Dark” Excited States of an Alternating AT Oligomer Characterized by Femtosecond Broadband Spectroscopy

(2009) Wai-Ming Kwok et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Excited States Decay of the A−T DNA: A PCM/TD-DFT Study in Aqueous Solution of the (9-Methyl-adenine)2·(1-methyl-thymine)2Stacked Tetramer

(2009) F. Santoro et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Both Intra- and Interstrand Charge-Transfer Excited States in Aqueous B-DNA Are Present at Energies Comparable To, or Just Above, the1ππ* Excitonic Bright States

(2009) Adrian W. Lange et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DNA Excited-State Dynamics: From Single Bases to the Double Helix

(2008) Chris T. Middleton et al.   Annual Review of Physical Chemistry

Calculations of the exciton coupling elements between the DNA bases using the transition density cube method

(2008) Arkadiusz Czader et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

(2008) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Characterization of the Short-Range Couplings in Excitation Energy Transfer

(2008) Chao-Ping Hsu et al.   Journal of Physical Chemistry C

Electronic Excitations and Spectra in Single-Stranded DNA

(2008) Stefano Tonzani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Three-State Model for the Photophysics of Guanine

(2008) Luis Serrano-Andrés et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic splitting in the excited states of DNA base homodimers and -trimers: an evaluation of short-range and Coulombic interactions

(2008) Dana Nachtigallová et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases

(2008) T. Takaya et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Base Sequence and Higher-Order Structure Induce the Complex Excited-State Dynamics in DNA

(2008) N. K. Schwalb et al.   SCIENCE