22 citations · 22 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026
Machine-Learned NMR Shieldings in Molecular Solids with Built-In Hybrid-Functional Molecular Corrections
Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes +4
Fast and accurate chemical shielding estimators are essential for shielding-driven Nuclear Magnetic Resonance (NMR) crystallography. Machine-learning models for shielding predictio…
cond-mat.other2008★ 22 cited
Conductance of a Conjugated Molecule with Carbon Nanotube Contacts
Nicolas A. Bruque, M. K. Ashraf, Roger K. Lake
Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond d…