BMIC 2026

Role of Functionalized Graphene materials in Adsorption of SO2 and SO3: A Quantum DFT approach

BMIC 2026

IONIC LIQUID INDUCED STRUCTURAL TRANSFORMATION IN A COPPER-BASED MOF SYNTHESIS: EXPERIMENTAL AND DFT STUDY

BMIC 2026

Facile modification of multi-resonance acceptors and donors in intramolecular TSCT-TADF emitters for OLEDs: a computational study

BMIC 2026

lmp2gro: A Python tool to facilitate GROMACS simulations on periodic systems

SBQT 2023

Molecular dynamics simulations of organic-aqueous interfaces under influence of organophosphorus extractants