gaussian 09 program (Gaussian inc)
90
Structured Review
Gaussian inc
gaussian 09 program
Gaussian 09 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+program/gaussian09/10__1016_slash_j__cej__2025__164819-118-28-31
Average 90 stars, based on 1 article reviews
Gaussian 09 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+program/gaussian09/10__1016_slash_j__cej__2025__164819-118-28-31
Average 90 stars, based on 1 article reviews
gaussian 09 program - by Bioz Stars,
2026-09
90/100 stars
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Software:Article Title: Novel Dual-Mode Fluorescent Sensor for Detecting Chlorpyrifos and Cu(II) Article Snippet: .. The optimized structures and molecular orbitals (MOs) of the sensor and its proposed complex with Cu 2+ were investigated with 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: Design, Synthesis, and Action Mechanism of 3-Carene-Based Acylhydrazone Compounds as Potential Novel Herbicidal Candidates. Article Snippet: In an attempt to discover natural-product-derived novel green herbicides, 26 novel 3-carene-based acylhydrazone compounds were designed and synthesized.. Their chemical structures were characterized by FTIR, NMR, HRMS, NOESY, and single-crystal X-ray diffraction.. The herbicidal activity of the target compounds was evaluated, and the target compound AH18 exhibited good herbicidal activity against the dicotyledonous plant Brassica campestris and the monocotyledonous plant Echinochloa crusgalli L. The EC50 values of its herbicidal activity against the two tested plants were better than or similar to those of the positive control diuron. Functional Assay:Article Title: Novel Dual-Mode Fluorescent Sensor for Detecting Chlorpyrifos and Cu(II) Article Snippet: .. The optimized structures and molecular orbitals (MOs) of the sensor and its proposed complex with Cu 2+ were investigated with 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: Rubber composition and crosslinked rubber molded product Article Snippet: .. The Mulliken charge of the sulfur atom constituting the thiocarbonyl group is obtained by performing structure optimization calculation and vibration number calculation using Article Title: Rubber composition and crosslinked rubber molded product Article Snippet: .. The bond distances X1, X2, Y1 and Y2 are obtained by performing structure optimization calculation and vibration number calculation using 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 other:Article Title: Enhanced light-driven ion transport via graphene oxide composite membranes for ionic power harvesting Article Snippet: In nature, biological active ion transport plays a pivotal role in efficient energy harvesting.. However, replicating this process in artificial systems to achieve comparable performance remains a significant challenge.. Here, we demonstrate a substantial enhancement in light-driven active ion transport by intercalating one-dimensional (1D) carboxymethyl cellulose nanofibers (CNFs) into the layers of aligned two-dimensional (2D) graphene oxide (GO) nanosheets, forming GO composite membranes (GOCMs). Article Title: Photoelectric conversion element, imaging element, and optical sensor Article Snippet: In the present specification, a value (value multiplied by −1) of a reciprocal number of the LUMO value obtained by the calculation of B3LYP/6-31G (d) using Article Title: Simultaneous determination of pyroxasulfone and its metabolites in wheat: Implications for safe application. Article Snippet: Understanding pyroxasulfone residue dynamics in wheat under China’s climatic and soil conditions is critical for establishing rational usage guidelines, setting maximum residue limits, and safeguarding human health.. Field trials were conducted across 10 major wheat-producing regions to evaluate the residues of 40 % pyroxasulfone suspensions in winter wheat.. A UPLC–MS/MS method was developed to simultaneously quantify pyroxasulfone and four metabolites in grains and straw. |