22 citations · 43 across the 2 of their papers we have counts for
4 papers
Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons:A Message Passing Neural Network Approach
Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas A. R. Purcell +1
Accurately and efficiently predicting the infrared (IR) spectra of a molecule can provide insights into the structure-properties relationships of molecular species, which has led t…
Interplay Between Mixed and Pure Exciton States Controls Singlet Fission in Rubrene Single Crystals
Dmitry R. Maslennikov, Marios Maimaris, Haoqing Ning +9
Singlet fission (SF) is a multielectron process in which one singlet exciton S converts into a pair of triplet excitons T+T. SF is widely studied as it may help overcome the Shockl…
Electronic structure of confined carbyne from joint wavelength-dependent resonant Raman spectroscopy and density functional theory investigations
Miles Martinati, Wim Wenseleers, Lei Shi +7
Carbyne, i.e. an infinitely long linear carbon chain (LCC), has been at the focus of a lot of research for quite a while, yet its optical, electronic, and vibrational properties ha…
Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport
Yuan Li, Yuanping Yi, Veaceslav Coropceanu +1
We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonot…