Full-electron calculation of effective electronic couplings and excitation energies of charge transfer states: Application to hole transfer in DNA π-stacks

Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric−Ferrous Redox Couple

(2009) Agostino Migliore et al.   Journal of Chemical Theory and Computation

First Principles Effective Electronic Couplings for Hole Transfer in Natural and Size-Expanded DNA

(2009) Agostino Migliore et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solvent Reorganization Energy of Hole Transfer in DNA

(2009) Tomáš Kubař et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A CASSCF and CASPT2 study of the photochemistry of 1,1- and 1,2-difluoroethylenes

(2008) Jesús González-Vázquez et al.   CHEMICAL PHYSICS

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

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

Systematic Study of the Influence of Base-Step Parameters on the Electronic Coupling between Base-Pair Dimers: Comparison of A-DNA and B-DNA Forms

(2008) Anela Ivanova et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Efficient Calculation of Charge-Transfer Matrix Elements for Hole Transfer in DNA

(2008) Tomáš Kubař et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Structural Dynamics on Charge Transfer in DNA Hairpins

(2008) Ferdinand C. Grozema et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrical characterization of DNA in mechanically controlled break-junctions

(2008) N Kang et al.   NEW JOURNAL OF PHYSICS

Colloquium: Physical approaches to DNA sequencing and detection

(2008) Michael Zwolak et al.   REVIEWS OF MODERN PHYSICS