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

Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions

(2010) Claudio A. Morgado et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The UV absorption of nucleobases: semi-classical ab initio spectra simulations

(2010) Mario Barbatti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photodynamics Simulations of Thymine: Relaxation into the First Excited Singlet State†

(2009) Jaroslaw J. Szymczak et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

The Role of Adenine Excimers in the Photophysics of Oligonucleotides

(2009) Gloria Olaso-González et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Absorption Spectrum of A-T DNA Unraveled by Quantum Mechanical Calculations in Solution on the (dA)2⋅(dT)2Tetramer

(2008) Fabrizio Santoro et al.   CHEMPHYSCHEM

Theoretical Insight into the Intrinsic Ultrafast Formation of Cyclobutane Pyrimidine Dimers in UV-Irradiated DNA: Thymine versus Cytosine

(2008) Juan José Serrano-Pérez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Molecular Basis of DNA Photodimerization: Intrinsic Production of Cyclobutane Cytosine Dimers

(2008) Daniel Roca-Sanjuán et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics

(2008) Mario Barbatti 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

The excited states of π-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution

(2008) Roberto Improta   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