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Gaussian inc 16 program package
16 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/16+program+package/16+program+package/pm39662504-443-7-11
Average 90 stars, based on 1 article reviews
16 program package - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

other:

Article Title: Preparation of Polysilsesquioxane-Based CO2 Separation Membranes with Thermally Degradable Succinic Anhydride and Urea Units
Article Snippet: Quantum Chemical Calculations All quantum chemical alculations were performed on a Gaussian 16 program pack- age (Gaussian, Inc., Wallingford, CT, USA) at the B3LYP/6-31G level of theory.

Article Title: Effect of Polydopamine Coating of Cellulose Nanocrystals on Performance of PCL/PLA Bio-Nanocomposites
Article Snippet: Calculations with the 6-31 + G(d,p) basis set were performed using the Gaussian 16 program package (Gaussian 16, Gaussian Inc., Wallingford, CT, USA) [ ].

Article Title: How to Make a Cocktail of Palladium Catalysts with Cola and Alcohol: Heteroatom Doping vs. Nanoscale Morphology of Carbon Supports
Article Snippet: All calculations were performed in the Gaussian 16 program package (Gaussian, Inc., Wallingford, CT, USA) [ ].

Article Title: Preparation of Polysilsesquioxane-Based CO2 Separation Membranes with Thermally Degradable Succinic Anhydride and Urea Units
Article Snippet: All quantum chemical calculations were performed on a Gaussian 16 program package (Gaussian, Inc., Wallingford, CT, USA) at the B3LYP/6-31G level of theory.

Functional Assay:

Article Title: Assembly-Induced Emission of Copper Nanoclusters: Revealing the Sensing Mechanism for Detection of Volatile Basic Nitrogen in Seafood Freshness On-Site Monitoring
Article Snippet: .. The first-principle calculation for Cu NCs@ p -MBA was based on the density functional theory (DFT) method with the Gaussian 16 program package (version B.01, Gaussian, Inc., Wallingford, CT). ..

Construct:

Article Title: Dielectric determination of glucose solutions under microwave fields via a novel molecular dynamics simulation approach
Article Snippet: A novel molecular dynamics (MD) simulation method was developed for the dielectric determination of glucose solutions under a microwave field.. The dielectric spectra were experimentally analyzed, and then the Debye relaxation model was chosen.. The static dielectric property and relaxation time calculated based on the MD simulation were employed in the Debye function to compute the simulated dielectric spectra.

Software:

Article Title: Dielectric determination of glucose solutions under microwave fields via a novel molecular dynamics simulation approach
Article Snippet: A novel molecular dynamics (MD) simulation method was developed for the dielectric determination of glucose solutions under a microwave field.. The dielectric spectra were experimentally analyzed, and then the Debye relaxation model was chosen.. The static dielectric property and relaxation time calculated based on the MD simulation were employed in the Debye function to compute the simulated dielectric spectra.



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