Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1 …
Naphthalene derivatives are heterocyclic compounds with significant applications in the
pharmaceutical and biomedical industries. Several spectroscopy methods, including FT-IR …
pharmaceutical and biomedical industries. Several spectroscopy methods, including FT-IR …
Structural, Spectroscopic, and CH... O Hydrogen Bonding Interaction on Structure (Monomer and Dimer) Vibrational Spectroscopic, Fukui, NCI, AIM, and RDG Analysis …
DA Dhas, S Balachandran - Polycyclic Aromatic …, 2023 - search.ebscohost.com
The prospective compound pencycuron (PNC) was probed using FT-IR, FT-Raman, NMR,
and UV-Vis spectra and quantum chemical computation. Vibrational assignment pertaining …
and UV-Vis spectra and quantum chemical computation. Vibrational assignment pertaining …
[HTML][HTML] CuO/NiO bimetallic nanocomposite: A facile DNA assisted synthetic approach and evaluation of bio efficacy
SG Krishnan, D Nand, S Sivadas, A Alfarhan… - Journal of King Saud …, 2022 - Elsevier
In this present work, a simple chemical co-precipitation method was used to synthesize
deoxyribonucleic acid (DNA) capped CuO-NiO bimetallic nanocomposite. The morphology …
deoxyribonucleic acid (DNA) capped CuO-NiO bimetallic nanocomposite. The morphology …
Spectroscopic, quantum chemical, QTAIM analysis, molecular dynamics simulation, docking studies and solvent effect of pyridin-2-yl oxyacetic acid herbicide and its …
The density functional theory calculations and spectroscopic characterization (FTIR, FT-
Raman, 1 H, 13 C NMR and ultraviolet–visible) of the herbicide compound Triclopyr (TCP) …
Raman, 1 H, 13 C NMR and ultraviolet–visible) of the herbicide compound Triclopyr (TCP) …
Solvents (Polar and non-polar) molecular interaction, antibonding & nonbonding, thermodynamic and MD simulation analysis on 1-(4-Aminophenyl)-4-(4 …
Abstract The molecule 1-(4-Aminophenyl)-4-(4-methoxyphenyl) piperazine (4APMPP) has
been widely investigated experimentally and computationally within the framework of …
been widely investigated experimentally and computationally within the framework of …
Structural activity (monomer and dimer), spectroscopic analysis, chemical reactivity, fungicidal activity and molecular dynamics simulation of phenyl benzamide …
The present study aims to provide deeper knowledge of the structural activity, spectroscopic
analysis, chemical reactivity and fungicidal activity of phenyl benzamide fungicides: flutolanil …
analysis, chemical reactivity and fungicidal activity of phenyl benzamide fungicides: flutolanil …
Spectroscopic and molecular structure investigation of Propachlor herbicide: A combined experimental and theoretical study
Abstract The Fourier Transform Infrared (FT-IR) and FT-Raman spectra of propachlor
(PCRM) herbicide are recorded in the region 400–4000cm− 1 and 50–3500cm− 1 …
(PCRM) herbicide are recorded in the region 400–4000cm− 1 and 50–3500cm− 1 …
Synthesis, Antifungal Activity, Molecular Docking Studies, RDG Analysis, and DFT Computations on Structural Vibrational and Electronic Spectra of 3, 5-Diamino-1, 2 …
ES Ashlin, GE Sheela, PR Babila - Polycyclic Aromatic Compounds, 2024 - Taylor & Francis
In this study, the antifungal compound 3, 5-Diamino-1, 2, 4-Triazolinium picrate (3, 5-
DTAZPA) crystals were fully grown and characterized using FT-Raman and FT-IR …
DTAZPA) crystals were fully grown and characterized using FT-Raman and FT-IR …
Phytochemical profiling and biological studies of Vitex altissima (L) leaves collected from South Kerala
S Sundaresan, LV Kumar… - AIP Conference …, 2020 - pubs.aip.org
Vitex altissima (L) is one of the major species in Vitex genus of Verbenaecae family and
possess traditional importance. Phytochemical profiling, quantification of chemical …
possess traditional importance. Phytochemical profiling, quantification of chemical …