January - 2019

Excited State Tracking during the Relaxation of Coordination Compounds

Journal of Computational Chemistry DOI: 10.1002/jcc.25800 The ability to locate minima on electronic excited states (ESs) potential...

In Silico Design of New Inhibitors Against Hemagglutinin of Influenza

The Journal of Physical Chemistry B 2019 DOI: 10.1021/acs.jpcb.8b10767 The RNA virus Influenza A is a serious public health problem with...

Chemical Theory and Modelling Group