Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study

The absorption, emission spectra as well as ground and excited states calculations of some dimethine cyanine dyes

(2009) Xiang-Han Zhang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Quantum Mechanical Computations and Spectroscopy: From Small Rigid Molecules in the Gas Phase to Large Flexible Molecules in Solution

(2008) Vincenzo Barone et al.   ACCOUNTS OF CHEMICAL RESEARCH

Accurate Simulation of Optical Properties in Dyes

(2008) Denis Jacquemin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model

(2008) Vincenzo Barone et al.   CHEMICAL PHYSICS LETTERS

Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals

(2008) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Solvent effects on the absorption/emission spectra of an organic chromophore: A theoretical study

(2008) Oliver Clemens et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS