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Gaussian inc gaussian 16 program
Gaussian 16 Program, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian+16+program/gaussian+16+software/pm40085400-188-8-11
Average 90 stars, based on 1 article reviews
gaussian 16 program - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Functional Assay:

Article Title: Utility of Interchangeable Coordination Modes of N , N ′-Dialkyl-2,6-pyridinediamide Tridentate Pincer Ligands for Solvent Extraction of Pd(II) and Zr(IV) from High-Level Radioactive Liquid Waste
Article Snippet: .. Quantum chemical calculations were performed using the Gaussian 16 program (Gaussian Inc.) rev.C01 employing density functional theory (DFT) by using a conductor like polarizable continuum model. ..

Article Title: Glass fiber treated with a glycine bridged silane coupling agent reinforcing polyamide 6(PA6): effect of hydrogen bonding
Article Snippet: The tensile strength was acquired at the electronic universal material testing machine (Shimadzu Corporation, Japan) according to ISO527 testing standard, and the notch impact strength was recorded at the cantilever beam impact testing machine (AJU-22, Chengde Material Testing Machine Factory) according to ISO 179 testing standard. .. Density functional theory (DFT) simulations were performed using Gaussian 16 program (Version B.01, Gaussian Inc. Wallingford CT, 2016). ..

Article Title: Experimental and theoretical studies on antioxidant and antibacterial properties of chitosan-gelatin functional composite films loaded with flavonoids.
Article Snippet: Chitosan-gelatin-flavonoid functional composite films were prepared with chitosan, gelatin, and three flavonoids (Naringenin, Apigenin, and Luteolin).. The effect of three flavonoids on physical, antioxidant, and antibacterial properties of functional composite film was investigated from experimental and Density functional theory (DFT) simulations.. The tensile strength, thermal stability, water solubility, water vapor permeability, antioxidant activity, and antibacterial activity of chitosan-gelatin-flavonoid functional composite films were improved with flavonoid (Naringenin, Apigenin, and Luteolin) incorporation.

Article Title: Construction of a reaction-based fluorescent sensor for tandem detection of Cu 2+ and glutathione in wine.
Article Snippet: The purpose of this study was to develop a novel reaction-based fluorescent sensor for the detection of Cu2+ and glutathione in real wine samples.. The sensor, tris-(2-pyridyl)-methylamine rhodol derivative, was synthesized and validated for the tandem and selective detection of both Cu2+ and glutathione.. The sensor exhibited a strong linear correlation between fluorescence intensity and Cu2+ concentration ranging from 100 to 900 nM, while the in situ generated Cu2+ ensemble selectively detected glutathione with a robust linear response from 3 to 30 μM.

other:

Article Title: Dissolution feature of microcrystalline cellulose with hydroxyl-containing ionic liquids: experimental and theoretical studies
Article Snippet: Two hydroxyl-containing ionic liquids (HCILs) were synthesized and used for dissolving microcrystalline cellulose (MCC).. Two HCILs were [MPmim][Cl] (1-methyl-3-(3-hydroxypropyl)-imidazolium chloride) and [MPbim][Cl] (1-butyl-3-(3hydroxypropyl)-imidazolium chloride).. Two hydroxyl-containing ionic liquids were studied with nuclear magnetic resonance (1H NMR and 13C NMR), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), and elemental analysis.

Polymer:

Article Title: Experimental and theoretical studies on antioxidant and antibacterial properties of chitosan-gelatin functional composite films loaded with flavonoids.
Article Snippet: Chitosan-gelatin-flavonoid functional composite films were prepared with chitosan, gelatin, and three flavonoids (Naringenin, Apigenin, and Luteolin).. The effect of three flavonoids on physical, antioxidant, and antibacterial properties of functional composite film was investigated from experimental and Density functional theory (DFT) simulations.. The tensile strength, thermal stability, water solubility, water vapor permeability, antioxidant activity, and antibacterial activity of chitosan-gelatin-flavonoid functional composite films were improved with flavonoid (Naringenin, Apigenin, and Luteolin) incorporation.



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