gaussian’09 program package (Gaussian inc)
90
Structured Review
Gaussian inc
gaussian’09 program package
Gaussian’09 Program Package, 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+09+program+package/gaussian09/pmc10043936-197-6-9
Average 90 stars, based on 1 article reviews
Gaussian’09 Program Package, 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+09+program+package/gaussian09/pmc10043936-197-6-9
Average 90 stars, based on 1 article reviews
gaussian’09 program package - by Bioz Stars,
2026-10
90/100 stars
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Software:Article Title: Hydrolysis Reactions of p-Nitrophenyl Trifluoroacetate and S-Ethyl Trifluorothioacetate. Article Snippet: .. Geometries and reaction coordinates were calculated using the Article Title: Photochemical transformation and interaction of octachlorodibenzofuran (OCDF) with microplastics in suspended particulate matter-water system. Article Snippet: Microplastics (MPs) and suspended particulate matter (SPM) are widely present in the aquatic environment, serving as carriers for various pollutants.. Understanding the phototransformation behavior of hydrophobic organic pollutants in the presence of coexisting microplastics and SPM is crucial for assessing their environmental fate and potential impacts.. In this study, we investigated the photochemical transformation behavior of octachlorodibenzo-p-dioxin (OCDF) in water under simulated solar irradiation, using polypropylene (PP) microplastics and SPM collected from the Pearl River. Article Title: Single-atom Zn anchored on reduced graphene oxide for enhanced peroxymonosulfate activation: Critical role of Zn-O 3 coordination structure and catalytic mechanism. Article Snippet: • A single-atom Zn catalyst anchored on rGO was innovatively fabricated.. • SA-Zn/rGO/PMS system was demonstrated high removal efficiency of SMX.. • Zn-O3 coordination structure in SA-Zn/ rGO enhanced PMS activation and O2 formation. Article Title: Photodegradation of PCB-209 on suspended particles: Discrepancy in mechanism of direct dechlorination and active species-mediated indirect dechlorination reactions. Article Snippet: While the reaction mechanism of direct photochemical dechlorination has been extensively studied, significant knowledge gaps remain regarding the specific roles of reactive species in governing dechlorination pathways during indirect photodegradation.. By integrating mass spectrometry analysis, probe experiments and theoretical calculations, we propose for the first time an indirect dechlorination reaction mechanism for PCB-209 involving active species commonly found in DOM photosensitive systems, which differs significantly from that of direct photodegradation.. Due to the lower bond energy of the C–Cl bond at the position opposite the carbon bridge, PCB-209 primarily yielded PCB-208 in direct dechlorination systems. Article Title: Photodegradation of Chlorinated Persistent Organic Pollutants (Cl-POPs) in Pearl River Suspended Particulate Matter-Water Systems: Kinetics, Quantitative Structure-Activity Relationship (QSAR) Development, and Mechanism. Article Snippet: Chlorinated persistent organic pollutants (Cl-POPs) are highly hydrophobic and are easily adsorbed to solid particulate matter after being released into the water column, thus affecting the transformation process and environmental fate.. This study investigated the photodegradation behavior of 16 Cl-POPs in the Pearl River suspended particulate matter (SPM)-water system.. The photodegradation rates of polychlorinated biphenyls (PCBs) were generally higher than those of dioxins and increased with substitution numbers of Cl atoms. Functional Assay:Article Title: Photochemical transformation and interaction of octachlorodibenzofuran (OCDF) with microplastics in suspended particulate matter-water system. Article Snippet: Microplastics (MPs) and suspended particulate matter (SPM) are widely present in the aquatic environment, serving as carriers for various pollutants.. Understanding the phototransformation behavior of hydrophobic organic pollutants in the presence of coexisting microplastics and SPM is crucial for assessing their environmental fate and potential impacts.. In this study, we investigated the photochemical transformation behavior of octachlorodibenzo-p-dioxin (OCDF) in water under simulated solar irradiation, using polypropylene (PP) microplastics and SPM collected from the Pearl River. Article Title: Photodegradation of Chlorinated Persistent Organic Pollutants (Cl-POPs) in Pearl River Suspended Particulate Matter-Water Systems: Kinetics, Quantitative Structure-Activity Relationship (QSAR) Development, and Mechanism. Article Snippet: Chlorinated persistent organic pollutants (Cl-POPs) are highly hydrophobic and are easily adsorbed to solid particulate matter after being released into the water column, thus affecting the transformation process and environmental fate.. This study investigated the photodegradation behavior of 16 Cl-POPs in the Pearl River suspended particulate matter (SPM)-water system.. The photodegradation rates of polychlorinated biphenyls (PCBs) were generally higher than those of dioxins and increased with substitution numbers of Cl atoms. other:Article Title: Synthesis and structural elucidation of cytotoxic mono and dinuclear rhenium carbonyl complexes bearing bis-{1,3-(imino pyrrolyl)-m-chloro phenyl)} ligand Article Snippet: A mononuclear and dinuclear rhenium tricarbonyl compounds were synthesized by the one-pot condensation reaction of [Re(CO)5Br], pyrrole-2-carboxaldehyde and 4‐chloro-m-phenylene diamine.. The mononuclear rhenium tricarbonyl complex containing {3-(imino pyrrolyl)-6‐chloro phenylamine)} ligand (IPP) with formula {[Re(CO)3Br(IPP)], (1), was obtained by refluxing stoichiometric quantities of amine, aldehyde and rhenium metal precursor in methanol solution.. Similarly, dinuclear rhenium tricarbonyl compound {[Re(CO)3Br]2(BIPP)], BIPP = bis-{1,3-(imino pyrrolyl)-m-chlorophenyl)}, (2) has been synthesized by refluxing appropriate amounts of aldehyde, and rhenium metal precursor in the presence of one equivalent of amine ligand. |