Methods and Software Spin-Orbit Couplings Based on Density Functional TheoryPySOC, a new program for fast and flexible computation of spin-orbit couplings. By Mario Barbatti, 8 yearsJanuary 3, 2017 ago
Atmospheric photochemistry Photochemistry of Methyl HypobromiteExcited states of bromites are true challenges for theoretical chemistry. It’s time to face them. (more…) By Mario Barbatti, 10 yearsNovember 5, 2015 ago
