Isomerization in Gold Clusters upon O2 Adsorption
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.6b09919
Abstract: A systematic investigation is performed on structural transformations in small neutral gold clusters (Au3–Au12) induced by O2 adsorption, with the use of the fully automated reaction path search techniques, i.e., anharmonic downward distortion following (ADDF)… read more here.
Keywords: clusters upon; adsorption; gold clusters; isomerization ... See more keywords
Two dimensional materials are non-nanotoxic and biocompatible towards cyclotides: evidence from classical molecular dynamics simulations.
Sign Up to like & getrecommendations! Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr05096j
Abstract: Cyclotides are backbone-cyclized peptides of plant origin enriched with disulfide bonds, having exceptional stability towards thermal denaturation and proteolytic degradation. They have a plethora of activities like antibacterial, antifungal, anti-tumor and anti-HIV properties predominantly owing… read more here.
Keywords: dynamics simulations; upon adsorption; molecular dynamics; classical molecular ... See more keywords