Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates

T Arora, J Devi, A Dubey, A Tufail… - Applied Organometallic …, 2023 - Wiley Online Library
Our current efforts are aimed to synthesize 16 complexes of Co (II), Ni (II), Cu (II), and Zn (II)
metal ions from heterocyclic hydrazone ligands by condensation reaction of 2, 6 …

In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

M Mohan, JD Keasling, BA Simmons, S Singh - Green Chemistry, 2022 - pubs.rsc.org
Plastic waste is currently produced at an alarmingly high rate, nearing 400 Mt per year. The
accumulation of plastics in the environment is growing rapidly, yet our knowledge of their …

Hole-mediated photoredox catalysis: tris (p-substituted) biarylaminium radical cations as tunable, precomplexing and potent photooxidants

S Wu, J Žurauskas, M Domański, PS Hitzfeld… - Organic Chemistry …, 2021 - pubs.rsc.org
As a combination of visible light photoredox catalysis and synthetic organic electrochemistry,
electrochemically-mediated photoredox catalysis emerged as a powerful synthetic …

Exploration of the intriguing photovoltaic behavior for fused indacenodithiophene-based A–D–A conjugated systems: a DFT model study

MN Arshad, I Shafiq, M Khalid, AM Asiri - ACS omega, 2022 - ACS Publications
Many researchers are engaged nowadays in developing efficient photovoltaic materials to
accomplish the demand of modern technology. Nonfullerene small molecular acceptors (NF …

Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …

CG Apebende, H Louis, AE Owen… - Zeitschrift für …, 2022 - degruyter.com
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …

Heteroleptic Eu (III) emissive complexes: Luminescent, optoelectronic and theoretical investigation

A Hooda, A Dalal, K Nehra, P Kumar, D Singh… - Journal of …, 2022 - Elsevier
The synthesis of four red emissive complexes of europium with formula [Eu (Hfodo) 3 L]
based on 6, 6, 7, 7, 8, 8, 8-heptafluoro-2, 2-dimethyl-3, 5-octanedione (Hfodo) and 1, 10 …

Oxazine Ring-Related Vibrational Modes of Benzoxazine Monomers Using Fully Aromatically Substituted, Deuterated, 15N Isotope Exchanged, and Oxazine-Ring …

L Han, D Iguchi, P Gil, TR Heyl… - The Journal of …, 2017 - ACS Publications
Polymerization of benzoxazine resins is indicated by the disappearance of a 960–900 cm–1
band in infrared spectroscopy (IR). Historically, this band was assigned to the C–H out-of …

Ultrahigh performance all solid-state lithium sulfur batteries: salt anion's chemistry-induced anomalous synergistic effect

GG Eshetu, X Judez, C Li… - Journal of the …, 2018 - ACS Publications
With a remarkably higher theoretical energy density compared to lithium-ion batteries (LIBs)
and abundance of elemental sulfur, lithium sulfur (Li–S) batteries have emerged as one of …

Effects of nano silica on the properties of cement-based materials: A comprehensive review

H Yang, M Monasterio, D Zheng, H Cui, W Tang… - … and Building Materials, 2021 - Elsevier
Nowadays, many nanomaterials such as graphene oxide (GO), carbon nanotubes (CNTs),
nano silica (NS) etc. have been introduced to improve the microstructures and performances …

Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network

M Mohan, O Demerdash, BA Simmons, JC Smith… - Green …, 2023 - pubs.rsc.org
Carbon dioxide (CO2) emissions from fossil fuel combustion are a significant source of
greenhouse gas, contributing in a major way to global warming and climate change. Carbon …