Computational strategies to address the catalytic activity of nanoclusters
AS Nair, B Pathak - Wiley Interdisciplinary Reviews …, 2021 - Wiley Online Library
Metal nanoclusters have been emerged as imperative elements of heterogenous catalysis.
Remarkably different properties from the bulk at the atomic level asserts construction of …
Remarkably different properties from the bulk at the atomic level asserts construction of …
[HTML][HTML] Functionalized Au15 nanoclusters as luminescent probes for protein carbonylation detection
Atomically precise, ligand-protected gold nanoclusters (AuNCs) attract considerable
attention as contrast agents in the biosensing field. However, the control of their optical …
attention as contrast agents in the biosensing field. However, the control of their optical …
Parametrization of the PM7 Semiempirical Quantum Mechanical Method for Silver Nanoclusters
Q Sun, RLM Gieseking - The Journal of Physical Chemistry A, 2022 - ACS Publications
Semiempirical quantum mechanical methods (SEQMs) are widely used in computational
chemistry because of their low computational cost, but their accuracy depends on the quality …
chemistry because of their low computational cost, but their accuracy depends on the quality …
Towards elucidating structure of ligand-protected nanoclusters
Ligand-protected metal nanoclusters (NCs) are organic–inorganic nanostructures, exhibiting
high stability at specific “magic size” compositions and tunable properties that make them …
high stability at specific “magic size” compositions and tunable properties that make them …
Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity
M Vijayanathan, AK Vadakkepat… - Communications …, 2024 - nature.com
Quinolone synthase from Aegle marmelos (AmQNS) is a type III polyketide synthase that
yields therapeutically effective quinolone and acridone compounds. Addressing the …
yields therapeutically effective quinolone and acridone compounds. Addressing the …
Structures and hydrogen bonds of-SO3H functionalized acid ionic liquids
Brønsted acidic ionic liquids (BAILs) are clean and versatile replacements for traditional
homogeneous acid catalysts and have attracted much attention as efficient catalysts for the …
homogeneous acid catalysts and have attracted much attention as efficient catalysts for the …
Lanthanide ions sensitization by small noble metal nanoclusters
Rare-earth ions sensitization is, nowadays, a relevant topic in modern technologies. Noble
metal nanoclusters can effectively sensitize lanthanide photoluminecence (PL) via excitation …
metal nanoclusters can effectively sensitize lanthanide photoluminecence (PL) via excitation …
Covalent anchoring of atomically precise glutathione-protected gold nanoclusters on graphene oxide nanosheets
This paper describes the development of a novel method of producing nanocomposites
consisting of gold nanoclusters anchored on graphene oxide nanosheets in a cost-effective …
consisting of gold nanoclusters anchored on graphene oxide nanosheets in a cost-effective …
A new halide hybrid compound based on Zn (II) and 3, 3′-diaminodiphenylsulfone: A combined experimental and theoretical study
A Mahroug, H Ltaief, P Paoli, P Rossi… - Inorganic Chemistry …, 2022 - Elsevier
A new organic–inorganic hybrid compound of formula (C 12 H 14 N 2 O 2 S)(ZnCl 4). 1·.
33H 2 O was obtained by slow evaporation of a H 2 O/EtOH solution at room temperature …
33H 2 O was obtained by slow evaporation of a H 2 O/EtOH solution at room temperature …
Kinetic analysis of aerobic oxidation catalyzed by a hybrid heterogeneous-homogeneous system containing supported Mn and V oxides and N-hydroxyphthalimide
The activities of transition metal oxide (TMO) heterogeneous catalysts based on individual
components such as VO X, and MnO X supported on TiO 2 and TiO 2-SiO 2 as cocatalysts in …
components such as VO X, and MnO X supported on TiO 2 and TiO 2-SiO 2 as cocatalysts in …