code version 7.5 (TURBOMOLE GmbH)
90
Structured Review
TURBOMOLE GmbH
code version 7.5
Code Version 7.5, 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/code+version+7%2E5/code+version+7+5/pmc12172018-52-8-8
Average 90 stars, based on 1 article reviews
Code Version 7.5, 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/code+version+7%2E5/code+version+7+5/pmc12172018-52-8-8
Average 90 stars, based on 1 article reviews
code version 7.5 - by Bioz Stars,
2026-09
90/100 stars
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Functional Assay:Article Title: MOFs with 12-Coordinate 5f-Block Metal Centers. Article Snippet: All optimizations and frequency calculations were done with the Article Title: Benign Arylations of Dimethyl Itaconate via Heck–Matsuda Reaction Utilizing in‐Situ Generated Palladium on Aluminum Oxide Article Snippet: In situ generated palladium on aluminum oxide provides an active and efficient catalytic system for the preparation of arylmethylidene succinates using the Heck–Matsuda reac- Article Title: Thermodynamic and structural aspects of the aqueous uranium(iv) system - hydrolysis vs. sulfate complexation. Article Snippet: All DFT calculations were done with the Article Title: The effect of particle size and composition on the optical and electronic properties of CdO and CdS rocksalt nanoparticles. Article Snippet: 58 All calculations were performed using version 7.5 of the Article Title: The effect of alkyl termination on the optical and electronic properties of silicon nanoparticles Article Snippet: Throughout all these calculations, version 7.5 of the Article Title: Role of Valency and Defects in the Incorporation of Uranium into the Goethite [010] Surface: An Embedded Cluster Density Functional Theory Study Article Snippet: DFT was employed in conjunction with the Periodic Electrostatic Embedded Cluster Method (PEECM), as implemented in the Article Title: Is Magnetic Bistability of Carbenes a General Phenomenon? Isolation of Simple Aryl(trifluoromethyl)carbenes in Both Their Singlet and Triplet States. Article Snippet: p-Tolyl(trifluoromethyl) carbene and the related fluorenyl(trifluoromethyl)carbene were synthesized in solid argon and characterized by IR, UV-vis, and EPR spectroscopy as well as by quantum mechanical calculations.. The carbenes can be generated in both their triplet and singlet states, and both states coexist under the conditions of matrix isolation.. According to our calculations, the singlet and triplet states of these carbenes are energetically nearly degenerate in the gas phase. Article Title: The effect of particle size on the optical and electronic properties of hydrogenated silicon nanoparticles. Article Snippet: These TDDFT calculations used the Tamm–Dancoff approximation to avoid TDDFT stability issues.54 Throughout all these calculations, version 7.5 of the Dispersion:Article Title: MOFs with 12-Coordinate 5f-Block Metal Centers. Article Snippet: All optimizations and frequency calculations were done with the Article Title: Benign Arylations of Dimethyl Itaconate via Heck–Matsuda Reaction Utilizing in‐Situ Generated Palladium on Aluminum Oxide Article Snippet: In situ generated palladium on aluminum oxide provides an active and efficient catalytic system for the preparation of arylmethylidene succinates using the Heck–Matsuda reac- Article Title: Thermodynamic and structural aspects of the aqueous uranium(iv) system - hydrolysis vs. sulfate complexation. Article Snippet: All DFT calculations were done with the Article Title: The effect of particle size and composition on the optical and electronic properties of CdO and CdS rocksalt nanoparticles. Article Snippet: 58 All calculations were performed using version 7.5 of the Article Title: The effect of alkyl termination on the optical and electronic properties of silicon nanoparticles Article Snippet: Throughout all these calculations, version 7.5 of the Article Title: Role of Valency and Defects in the Incorporation of Uranium into the Goethite [010] Surface: An Embedded Cluster Density Functional Theory Study Article Snippet: DFT was employed in conjunction with the Periodic Electrostatic Embedded Cluster Method (PEECM), as implemented in the Article Title: Is Magnetic Bistability of Carbenes a General Phenomenon? Isolation of Simple Aryl(trifluoromethyl)carbenes in Both Their Singlet and Triplet States. Article Snippet: p-Tolyl(trifluoromethyl) carbene and the related fluorenyl(trifluoromethyl)carbene were synthesized in solid argon and characterized by IR, UV-vis, and EPR spectroscopy as well as by quantum mechanical calculations.. The carbenes can be generated in both their triplet and singlet states, and both states coexist under the conditions of matrix isolation.. According to our calculations, the singlet and triplet states of these carbenes are energetically nearly degenerate in the gas phase. Article Title: The effect of particle size on the optical and electronic properties of hydrogenated silicon nanoparticles. Article Snippet: These TDDFT calculations used the Tamm–Dancoff approximation to avoid TDDFT stability issues.54 Throughout all these calculations, version 7.5 of the |