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Chapter 8 A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles
Authors: Nguyen Van Trang, Duy Quang Dao, Pham Vu Nhat, Phan Thi Thuy, and Minh Tho Nguyen
316    0
Practical Aspects of Computational Chemistry V
:     :
: https://doi.org/10.1007/978-3-030-83244-5_8
Publishing year: 10/2021
Theoretical study on the reaction mechanism of a indirect decomposition of nitrous oxide (N2O) by carbon monoxide (CO) on the silver cluster Ag7Theoretical study of the reaction mechanism of the Propargyl radical with cacbon mono oxide by the Density functional theory (DFT)Theoretical study of structure and properties of some bi-metal clusters AgnM (n = 1-9, M = Fe, Co, Ni).A theoretical investigation on SinMn2+ Clusters (n = 1–10): Geometry, stability, and magnetic propertiesTheoretical investigation of the mechanism of indirect decomposition of nitrous oxide (N2O) by hydrogen (H2) on Cu7 clusterAntioxidation of 2-phenylbenzofuran derivatives: structural-electronic effects and mechanismsNovel pH‑Sensitive Hydrogel Beads Based on Carrageenan and Fish Scale Collagen for Allopurinol Drug DeliveryTheoretical study of structures and properties of some silole compoundsQuinolone and isoquinolone alkaloids: the structural-electronic effects and the antioxidant mechanisms Antioxidative Capacities of Stilbenoid Suaveolensone A and Flavonoid Suaveolensone B: A Detailed analysis of Structural-Electronic Properties and MechanismsThe conversion of L-lysine into L-β-lysine: the role of 5′-deoxyadenosyl radical and water—a DFT studyThermodynamic study on antioxidative action of cynandione A: a DFT approachAntioxidative and α‑glucosidase inhibitory constituents of Polyscias guilfoylei: experimental and computational assessmentsAntioxidant of Trans-Resveratrol: A Comparison between OH and CH Groups Based on Thermodynamic ViewsBenzofuran–stilbene hybrid compounds: an antioxidant assessment – a DFT studyThe antioxidative potential of benzofuran-stilbene hybrid derivatives: a comparison between natural and synthetic compoundsA theoretical investigation of the adsorption capacities of HCHO, HCOOH, CH3OH on M4 clusters (M = Au, Pd, Pt)Mechanistic insights into the dehydrogenation of formaldehyde, formic acid and methanol using the Pt4 cluster as a promising catalystA theoretical study on the kinetics for ethanol reaction with formyl radicalStudies on the antioxidant activity of apigenin, luteolin and nevadensin using DFTThermodynamic and Kinetic Studies on Antioxidant Capacity of Amentoflavone: A DFT (Density Functional Theory) Computational ApproachThe antioxidative potential of procyanidin B1: DFT (density functional theory) and docking approachesPotential for Aedes aegypti Larval Control and Environmental Friendliness of the Compounds Containing 2‑Methyl-3,4- dihydroquinazolin-4-one HeterocycleEffect of extended π-conjugation on photophysical characteristics of chalcone and cinnamylideneacetophenoneEssential Oils from the Trunks and Leaves of Paramignya scandens (Griff.) Craib from Vietnam: Phytochemical Composition, In vitro α-Amylase and Tyrosinase Inhibitory Activities and In Silico Molecular Docking StudiesA theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediatesIn silico molecular docking, DFT, and toxicity studies of potential inhibitors derived from Millettia dielsiana against human inducible nitric oxide synthaseSynergistic effect of the heterojunction g-C3N4/Bi2MoO6/clinoptilolite to enhance the photocatalytic degradation of antibiotics in water in the presence of persulfate