Drupal-Biblio17<style face="normal" font="default" size="100%">Finite temperature behavior of gas phase neutral Au-n (3 <= n <= 10) clusters: a first principles investigation</style>Drupal-Biblio17<style face="normal" font="default" size="100%">First principle investigation on the thermal stability of a golden fullerene: a case study of Au-32</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Facile fabrication of nano silver phosphate on B-doped g-C3N4: an excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction</style>Drupal-Biblio17<style face="normal" font="default" size="100%">First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Free base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study</style>Drupal-Biblio17<style face="normal" font="default" size="100%">From ``Cosmic Cooking'' to chemistry of the future: a collective dialogue on chemistry as a tribute to Prof. Sourav Pal.</style>Drupal-Biblio17<style face="normal" font="default" size="100%">FeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Functionalized Mo2BX2 (X = H, OH, O) MBenes as a promising sensor, capturer and storage material for environmentally toxic gases: A case study of 1T and 2H phase</style>Drupal-Biblio17<style face="normal" font="default" size="100%">First-principles simulation of active site selectivity for CO2 and H2 adsorption on Mg(OH)+/Mg2+ and Ca(OH)+/Ca2+ zeolites</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Far-red active squaraine dye-sensitized photoanode for dye-sensitized solar cells with a copper (II/I) electrolyte</style>