Use my Search Websuite to scan PubMed, PMCentral, Journal Hosts and Journal Archives, FullText. Kick-your-searchterm to multiple Engines kick-your-query now !>

A dictionary by aggregated review articles of nephrology, medicine and the life sciences Your one-stop-run pathway from word to the immediate pdf of peer-reviewed on-topic knowledge.

10.1002/cphc.202500694 http://scihub22266oqcxt.onion/10.1002/cphc.202500694 41319344!?!41319344 Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=41319344&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215       Chemphyschem 2025 ; ? (?): e202500694 Nephropedia Template TP {{tp|p=41319344|t=2025. Synergistic Defect and Halide Catalysis for CO(2) Cycloaddition on ZIF-8: Mechanistic and Energetic Insights from Density Functional Theory |pdf=|usr=}}{{41319344}} gab.com Text Synergistic Defect and Halide Catalysis for CO(2) Cycloaddition on ZIF-8: Mechanistic and Energetic Insights from Density Functional Theory JO: Chemphyschem http://www.kidney.de/pget.php?&tw=1&pmid=41319344 #FOAvip Understanding the mechanism of CO(2) cycloaddition with epoxides under mild conditions is vital for advancing green carbon capture and utilization strategies. This work investigates the catalytic role of a defective ZIF-8 model with Zn-OH-Zn moieties and bromide (Br(-)) assistance in promoting the conversion of CO(2) and propylene oxide into propylene carbonate. Density-functional theory calculations reveal that, in the absence of a catalyst, the reaction proceeds through high activation barriers (52.02 kcal mol(-1) and 59.31 kcal mol(-1) for the alpha and beta pathways, respectively). Upon introducing the Zn-OH-Zn site and Br(-), the energy barrier for the rate-limiting ring-opening step is drastically lowered to 14.45 kcal mol(-1), confirming the synergistic effect between Lewis acid/base sites and halide assistance. The calculated reaction energy of -13.89 kcal mol(-1) aligns well with the experimental enthalpy change (-12.64 kcal mol(-1)). This study provides molecular-level insights into the cooperative catalytic mechanism and supports defect-engineering strategies for metal-organic frameworks in CO(2) fixation applications. Twit Text FOAVip Synergistic Defect and Halide Catalysis for CO(2) Cycloaddition on ZIF-8: Mechanistic and Energetic Insights from Density Functional Theory ????Chemphyschem http://www.kidney.de/pget.php?&tw=1&pmid=41319344 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=41319344 #FOAvip English Wikipedia <ref>{{Cite pmid|41319344}}</ref> Synergistic Defect and Halide Catalysis for CO(2) Cycloaddition on ZIF-8: Mechanistic and Energetic Insights from Density Functional Theory #MMPMID41319344 Chan CW; Chen HL; Chen HT Chemphyschem 2025[Nov]; ? (?): e202500694 PMID41319344show ga Understanding the mechanism of CO(2) cycloaddition with epoxides under mild conditions is vital for advancing green carbon capture and utilization strategies. This work investigates the catalytic role of a defective ZIF-8 model with Zn-OH-Zn moieties and bromide (Br(-)) assistance in promoting the conversion of CO(2) and propylene oxide into propylene carbonate. Density-functional theory calculations reveal that, in the absence of a catalyst, the reaction proceeds through high activation barriers (52.02 kcal mol(-1) and 59.31 kcal mol(-1) for the alpha and beta pathways, respectively). Upon introducing the Zn-OH-Zn site and Br(-), the energy barrier for the rate-limiting ring-opening step is drastically lowered to 14.45 kcal mol(-1), confirming the synergistic effect between Lewis acid/base sites and halide assistance. The calculated reaction energy of -13.89 kcal mol(-1) aligns well with the experimental enthalpy change (-12.64 kcal mol(-1)). This study provides molecular-level insights into the cooperative catalytic mechanism and supports defect-engineering strategies for metal-organic frameworks in CO(2) fixation applications. ?Synergistic Defect and Halide Catalysis for CO(2) Cycloaddition on ZIF(epmc).pdf DeepDyve Pubget Overpricing