gaussian 16 software (Gaussian inc)
90
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Gaussian inc
gaussian 16 software
Gaussian 16 Software, 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+software/gaussian+16+software/pmc10722507__ja3c10820_si_001-154-70-30
Average 90 stars, based on 1 article reviews
Gaussian 16 Software, 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+software/gaussian+16+software/pmc10722507__ja3c10820_si_001-154-70-30
Average 90 stars, based on 1 article reviews
gaussian 16 software - by Bioz Stars,
2026-09
90/100 stars
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Software:Article Title: Synthesis of purpurogallin-formic acid ester derivatives and their formation mechanism Article Snippet: Bicyclo[3.2.1]octane-type intermediates (BOIs) play a crucial role in theaflavin (TFs) synthesis via decarboxylation with water.. Given this reactivity, it is hypothesized that BOIs can also react with other polar solvents such as alcohols to yield the corresponding analogs.. In this study, pyrogallol (PG) was employed as the substrate with Ag2O as the oxidant to synthesize BOIPPG in an acetone system. Article Title: A rapid one-step synthesis of silver and copper coordinated chlorine functionalized fullerene nanoparticles with enhanced antibacterial activity Article Snippet: .. Using Article Title: Prioritization of novel anti-infective stilbene derivatives by combining metabolomic data organization and a stringent 3R-infection model in a knowledge graph Article Snippet: .. The conformers were further optimized using PM3 and B3LYP/6-31G (d,p) basis sets in Article Title: Supplementary Information Tandem Isomerization/α,β-Site- and Enantioselective Addition Reactions of N-(3-Butynoyl)-3,5-dimethylpyrazole Induced by Chiral π–Cu(II) Catalysts Article Snippet: The initial structures of (S)-15a and (S,S,S)-16d were constructed on a Windows 10 PC with the GaussView 6 (Gaussian, Inc., Pittsburgh, PA). .. The structures were fully optimized by the density functional theory (DFT) calculations using the B3LYP functional with the def2-TZVP basis set with GD35 corrections for dispersion in Article Title: New abietane-type diterpenoids from roots of Euonymus hamiltonianus and their cytotoxicity in human cancer cell. Article Snippet: Two new abietane-type diterpenoids, 6β-(3-furoyloxy)ferruginol (1) and 6-chloro-6,7-dehydroferruginol (2), were isolated from the roots of Euonymus hamiltonianus along with five known diterpenoids (3–7).. Their structures were characterized using various spectroscopic analysis including HRMS, 1D and 2D NMR, and ECD analysis.. All isolated compounds (1–7) were evaluated for their cytotoxic activity against human colon cancer cell line, HCT116, and it was found to exhibit moderate cytotoxic activity with IC50 values ranging from 4.5 to 22.9 μM. Article Title: Cycloartane-type triterpenoids from Combretum quadrangulare Kurz with PCSK9 secretion inhibitory activities. Article Snippet: Nine previously undescribed (1–9) and seven known (10–16) cycloartane-type 18 triterpenoids were isolated and characterized from Combretum quadrangulare Kurz using 19 physicochemical and spectroscopic methods.. The absolute configurations of these compounds 20 were determined through modified Mosher’s method and quantum chemical calculation of 21 electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectra.. Their 22 inhibitory activities against PCSK9 secretion were assessed, and a plausible structure-activity 23 relationship was delineated. Article Title: Rapid oxidation of phenolic compounds by O<sub>3</sub> and HO<sup>●</sup>: effects of the air–water interface and mineral dust in tropospheric chemical processes Article Snippet: .. The Article Title: Self-cascade ROS-trapping bioreaction system reverses stem cell oxidative stress fate for osteogenesis Article Snippet: .. Based on density functional theory (DFT), Functional Assay:Article Title: Supplementary Information Tandem Isomerization/α,β-Site- and Enantioselective Addition Reactions of N-(3-Butynoyl)-3,5-dimethylpyrazole Induced by Chiral π–Cu(II) Catalysts Article Snippet: The initial structures of (S)-15a and (S,S,S)-16d were constructed on a Windows 10 PC with the GaussView 6 (Gaussian, Inc., Pittsburgh, PA). .. The structures were fully optimized by the density functional theory (DFT) calculations using the B3LYP functional with the def2-TZVP basis set with GD35 corrections for dispersion in Article Title: Self-cascade ROS-trapping bioreaction system reverses stem cell oxidative stress fate for osteogenesis Article Snippet: .. Based on density functional theory (DFT), Dispersion:Article Title: Supplementary Information Tandem Isomerization/α,β-Site- and Enantioselective Addition Reactions of N-(3-Butynoyl)-3,5-dimethylpyrazole Induced by Chiral π–Cu(II) Catalysts Article Snippet: The initial structures of (S)-15a and (S,S,S)-16d were constructed on a Windows 10 PC with the GaussView 6 (Gaussian, Inc., Pittsburgh, PA). .. The structures were fully optimized by the density functional theory (DFT) calculations using the B3LYP functional with the def2-TZVP basis set with GD35 corrections for dispersion in Circular Dichroism:Article Title: Supplementary Information Tandem Isomerization/α,β-Site- and Enantioselective Addition Reactions of N-(3-Butynoyl)-3,5-dimethylpyrazole Induced by Chiral π–Cu(II) Catalysts Article Snippet: The initial structures of (S)-15a and (S,S,S)-16d were constructed on a Windows 10 PC with the GaussView 6 (Gaussian, Inc., Pittsburgh, PA). .. The structures were fully optimized by the density functional theory (DFT) calculations using the B3LYP functional with the def2-TZVP basis set with GD35 corrections for dispersion in Binding Assay:Article Title: Self-cascade ROS-trapping bioreaction system reverses stem cell oxidative stress fate for osteogenesis Article Snippet: .. Based on density functional theory (DFT), |