5 citations · 9 across the 8 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
physics.chem-ph2024
Influence of Pseudo-Jahn-Teller Activity on the Singlet-Triplet Gap of Azaphenalenes
Atreyee Majumdar, Komal Jindal, Surajit Das +1
We analyze the possibility of symmetry-lowering induced by pseudo-Jahn--Teller interactions in six previously studied azaphenalenes that are known to have their first excited singl…
physics.chem-ph2024
Chemical Space-Informed Machine Learning Models for Rapid Predictions of X-ray Photoelectron Spectra of Organic Molecules
Susmita Tripathy, Surajit Das, Shweta Jindal +1
We present machine learning models based on kernel-ridge regression for predicting X-ray photoelectron spectra of organic molecules originating from the -shell ionization energi…