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software g16 c.01  (Gaussian inc)

 
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    Structured Review

    Gaussian inc software g16 c.01
    Software G16 C.01, 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/g16+a%2E01+software/software+g16+c+01/pmc10957407-151-0-4
    Average 90 stars, based on 1 article reviews
    software g16 c.01 - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    Functional Assay:

    Article Title: Physicochemical Characterization of a Co-Amorphous Atorvastatin-Irbesartan System with a Potential Application in Fixed-Dose Combination Therapy
    Article Snippet: The density functional calculations were carried out and optimized for four complex geometries at the DFT level of theory using the Gaussian G16 A.01 software (Gaussian Inc., Wallingford, CT, USA) [ ] and very tight criteria as well as the most commonly used global hybrid generalized gradient approximation B3LYP functional (B3LYP/6-31G(d,p) approach with additional keywords “empiricaldispersion = gd3bj iop (3/174 = 1000000, 3/175 = 1988900, 3/177 = 398100, 3/178 = 4421100)” in the input file) [ ] and a pure functional, B97, with the Grimme’s D3BJ dispersion (B97D3/6-31G(d,p) approach with additional keywords “empiricaldispersion=gd3bj” in the input file [ ] in the gaseous phase were used.

    Software:

    Article Title: Physicochemical Characterization of a Co-Amorphous Atorvastatin-Irbesartan System with a Potential Application in Fixed-Dose Combination Therapy
    Article Snippet: The density functional calculations were carried out and optimized for four complex geometries at the DFT level of theory using the Gaussian G16 A.01 software (Gaussian Inc., Wallingford, CT, USA) [ ] and very tight criteria as well as the most commonly used global hybrid generalized gradient approximation B3LYP functional (B3LYP/6-31G(d,p) approach with additional keywords “empiricaldispersion = gd3bj iop (3/174 = 1000000, 3/175 = 1988900, 3/177 = 398100, 3/178 = 4421100)” in the input file) [ ] and a pure functional, B97, with the Grimme’s D3BJ dispersion (B97D3/6-31G(d,p) approach with additional keywords “empiricaldispersion=gd3bj” in the input file [ ] in the gaseous phase were used.

    Dispersion:

    Article Title: Physicochemical Characterization of a Co-Amorphous Atorvastatin-Irbesartan System with a Potential Application in Fixed-Dose Combination Therapy
    Article Snippet: The density functional calculations were carried out and optimized for four complex geometries at the DFT level of theory using the Gaussian G16 A.01 software (Gaussian Inc., Wallingford, CT, USA) [ ] and very tight criteria as well as the most commonly used global hybrid generalized gradient approximation B3LYP functional (B3LYP/6-31G(d,p) approach with additional keywords “empiricaldispersion = gd3bj iop (3/174 = 1000000, 3/175 = 1988900, 3/177 = 398100, 3/178 = 4421100)” in the input file) [ ] and a pure functional, B97, with the Grimme’s D3BJ dispersion (B97D3/6-31G(d,p) approach with additional keywords “empiricaldispersion=gd3bj” in the input file [ ] in the gaseous phase were used.



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    Software G16 C.01, 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/g16+a%2E01+software/software+g16+c+01/pmc10957407-151-0-4
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