Probing the electric field response of a water molecule confined in small carbon nanocages: A density functional theory investigation
S Rai, D Rai - ChemPhysChem, 2024 - Wiley Online Library
We consider a water molecule under tight confinement in the small‐sized fullerenes (C 28
_28, C 30 _30, C 32 _32) within the density functional theory (DFT) calculations with suitable …
_28, C 30 _30, C 32 _32) within the density functional theory (DFT) calculations with suitable …
Geometries, Electronic Structures, Bonding Properties, and Stability Strategy of Endohedral Metallofullerenes TM@ C28 (TM= Sc−, Y−, La−, Ti, Zr, Hf, V+, Nb+, Ta+)
D Liu, Y Shui, T Yang - Inorganics, 2024 - mdpi.com
We performed quantum chemical calculations on the geometries, electronic structures,
bonding properties, and stability strategy of endohedral metallofullerenes TM@ C28 (TM …
bonding properties, and stability strategy of endohedral metallofullerenes TM@ C28 (TM …
Conformation-based Molecular Memories for Nanoscale MemComputing
We investigate the use of endohedral fullerenes and 6-(Ferrocenyl) hexanethiol cation as
molecular non-volatile memory devices. We demonstrate stable encoding of the information …
molecular non-volatile memory devices. We demonstrate stable encoding of the information …