most citedEfficient Cysteine Conformer Search with Bayesian Optimization

4 citations · 4 across the 1 of their papers we have counts for

collaborators
Showing physics.chem-phShow all

1 paper · 1 filter

physics.chem-ph2020

Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters

Esko Makkonen, Tuomas P. Rossi, Ask Hjorth Larsen +4

Electronic circular dichroism (ECD) is a powerful spectroscopical method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-…