Quantum chemistry
Why Are Vertical Excitations and Band Maxima Shifted?
Shift between Vexc and Bmax is caused by frequency changes.
Photochemistry and photophysics
Guanidinium: A New Analytical Tool to Detect Anions
Chromophore-guanidine compounds can be used as selective anion sensors.
Photosensitization and singlet oxygen
Explaining the Photophysics of Thiothymines
Why does replacing different oxygens of thymine with sulfur cause distinct absorption and intersystem crossing?
Methods and Software
Sampling Initial Conditions for Dynamics and Spectrum
Wigner distribution or ground-state trajectories, what is the best way to sample initial conditions for excited-state dynamics? (more…)
