Electronic coupling calculations with transition charges, dipoles, and quadrupoles derived from electrostatic potential fitting

A theoretical study of crystallochromy: Spectral tuning of solid-state tetracenes

(2013) Kazuhiro J. Fujimoto et al.   JOURNAL OF CHEMICAL PHYSICS

Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method

(2013) Alexander A. Voityuk   Journal of Physical Chemistry C

Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states

(2012) Kazuhiro J. Fujimoto   JOURNAL OF CHEMICAL PHYSICS

Bridge-Mediated Excitation Energy Transfer Pathways through Protein Media: a Slater Determinant-Based Electronic Coupling Calculation Combined with Localized Molecular Orbitals

(2011) Tsutomu Kawatsu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Transition-density-fragment interaction approach for exciton-coupled circular dichroism spectra

(2010) Kazuhiro J. Fujimoto   JOURNAL OF CHEMICAL PHYSICS

Triplet Excitation Energy Transfer with Constrained Density Functional Theory

(2010) Sina Yeganeh et al.   Journal of Physical Chemistry C

Characterizing the Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic Coupling

(2010) Josh Vura-Weis et al.   Journal of Physical Chemistry C

Deciphering the Influence of Short-Range Electronic Couplings on Optical Properties of Molecular Dimers: Application to “Special Pairs” in Photosynthesis

(2009) Mohamed El-Amine Madjet et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic Coulombic Coupling of Excitation-Energy Transfer in Xanthorhodopsin

(2009) Kazuhiro J. Fujimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Assessment of quantum chemical methods and basis sets for excitation energy transfer

(2008) Reinhold F. Fink et al.   CHEMICAL PHYSICS

Density-fragment interaction approach for quantum-mechanical/molecular-mechanical calculations with application to the excited states of a Mg2+-sensitive dye

(2008) Kazuhiro Fujimoto et al.   JOURNAL OF CHEMICAL PHYSICS

The mediated excitation energy transfer: Effects of bridge polarizability

(2008) Hung-Cheng Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies

(2008) Burkhard Fückel et al.   JOURNAL OF CHEMICAL PHYSICS