Defect-engineered chiral metal–organic frameworks
Chirality has an important impact on chemical and biological research, as most active
substances are chiral. In recent decades, metal–organic frameworks (MOFs), which are …
substances are chiral. In recent decades, metal–organic frameworks (MOFs), which are …
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 …
External electric field to control the Diels–Alder reactions of endohedral fullerene
The present work investigates the role of External Electric Field (EEF) on a Diels–Alder
reaction of endohedral fullerene by means of chemical kinetics and quantum chemical …
reaction of endohedral fullerene by means of chemical kinetics and quantum chemical …
How an electric field makes endohedral fullerene an improved catalyst for hydrogen evolution reaction
The present work investigates the effect of external electric field (EEF) in enhancing the
catalytic properties of endohedral fullerenes (Sc 3 N@ C 80 and Sc 3 N@ C 68) for …
catalytic properties of endohedral fullerenes (Sc 3 N@ C 80 and Sc 3 N@ C 68) for …