gaussian 16 c.01 program package (TURBOMOLE GmbH)
90
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TURBOMOLE GmbH
gaussian 16 c.01 program package
Gaussian 16 C.01 Program Package, supplied by TURBOMOLE GmbH, 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/gaussian+16/pm38258532-84-18-10
Average 90 stars, based on 1 article reviews
Gaussian 16 C.01 Program Package, supplied by TURBOMOLE GmbH, 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/gaussian+16/pm38258532-84-18-10
Average 90 stars, based on 1 article reviews
gaussian 16 c.01 program package - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: A Multiresonant Thermally Activated Delayed Fluorescent Dendrimer with Intramolecular Energy Transfer: Application for Efficient Host‐Free Green Solution‐Processed Organic Light‐emitting Diodes Article Snippet: The calculation was performed using Density Functional Theory (DFT) with Gaussian 16[2] as well as the second order algebraic diagrammatic construction Spin-Component Scaling (ADC(2)-SCS) method[3] using the Article Title: Supporting Information Highly Efficient Green and Red Narrowband Emissive Organic Light-Emitting Diodes Employing Multi-Resonant Thermally Activated Delayed Fluorescence Emitters Article Snippet: The calculations were performed using Density Functional Theory (DFT) within Gaussian 16[10] as well as the second order algebraic diagrammatic construction Spin-Component Scaling (ADC (2)-SCS) method using the Article Title: Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes. Article Snippet: 2.2.2 | DFT calculations All calculations were performed using the Article Title: Degradable bispiperidone derivative amine networks with monomer recovery Article Snippet: These calculations were performed with the Gaussian 16 C.01 software package.63 For any option not mentioned, the values predefined in Article Title: Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes. Article Snippet: Calculations with solvent models IEFPCM or SMD were performed with the Gaussian 16 C.01 software package.39 The B3LYP implementation in Gaussian 16 C.01 uses the Article Title: N -Carbazolyl π-Radical and Its Antiaromatic Nitrenium Ion: A Threshold Photoelectron Spectroscopic Study Article Snippet: Geometries and vibrational frequencies of the neutral and cationic species in their ground and excited states were calculated at the M06-2X/6-311++G** level of theory using Article Title: Origins of crystallisation-induced dual emission of terephthalic and isophthalic acid crystals. Article Snippet: All (TD-)DFT computations were performed with the Gaussian 16 program,29 CASSCF and CASPT2 computations with the Molcas code,30 and RI-CC2 computations were performed with the Solvent:Article Title: Excited state deactivation in phytochemical flavonoids: astragalin and kaempferol. Article Snippet: .. For both systems, the minimum energy S1/S0 CI was optimized based on CASSCF(6,6)/6-31G* method, implemented in the |