Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the reactivity properties of Au-n (6 <= n <= 13) clusters using density functional theory based reactivity descriptors</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the molecular conformations of Na-dimyristoylphosphatidylglycerol (DMPG) using DFT-based method</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the site selectivity in small-sized neutral and charged AI(n) (4 <= n <= 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the stability of an unprecedented Si-Be bond within quantum confinement</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Ultra-small Au nanoclusters with tailored photoluminescence properties using modified thiol ligands: a computational and experimental demonstration</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Unlocking enhanced redox dynamics: the power of a bifunctional catalytic zinc phosphide interface in full cell and pouch lithium-sulfur batteries</style>