dft and td-dft calculations using the gaussian 09w package (Gaussian inc)
90
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Gaussian inc
dft and td-dft calculations using the gaussian 09w package
Dft And Td Dft Calculations Using The Gaussian 09w 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/dft+and+td-dft+calculations+using+the+gaussian+09w+package/dft+and+td+dft+calculations+using+the+gaussian+09w+package/pm36454391-5-1-12
Average 90 stars, based on 1 article reviews
Dft And Td Dft Calculations Using The Gaussian 09w 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/dft+and+td-dft+calculations+using+the+gaussian+09w+package/dft+and+td+dft+calculations+using+the+gaussian+09w+package/pm36454391-5-1-12
Average 90 stars, based on 1 article reviews
dft and td-dft calculations using the gaussian 09w package - by Bioz Stars,
2026-10
90/100 stars
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other:Article Title: Evaluation of darrow red-organosilane composite as a photosensitizer for application in dye-sensitized zinc oxide photocatalysts: DFT and TD-DFT studies. Article Snippet: Context Density functional theory (DFT) and time-dependent DFT (TD-DFT) studies of darrow red covalently attached to 3-glycidyloxypropyltrimethoxysilane (DR-GPTMS) were conducted, and it was shown that DR-GPTMS can be applied as a photosensitizer in dye-sensitized zinc oxide (ZnO) photocatalysts.. The frontier molecular orbital (FMO) levels of DRGPTMS simulated using a conductor-like polarizable continuum model in water were suitable for electron injection from photoexcited DR-GPTMS to ZnO.. Additionally, the oxidized DR-GPTMS produced by electron injection can be regenerated using triethanolamine. |