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lgoerigk
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New paper on excimer binding in JCC
Congratulations to Amy and Erica for publishing their latest finding on excimer binding in The Journal of Computational Chemistry. Amy and Erica show how well some …
goerigk.chemistry.unimelb.edu.au/2024/04/08/new-paper-on-excimer-binding-in-jcc
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Study on correctly predicting valence tautomerism in cobalt complexes published in Chemical Science
Congratulations to Zahra for publishing her big study on correctly predicting valence tautomerism in cobalt complexes and also providing an explanation to how valence tautomerism in …
goerigk.chemistry.unimelb.edu.au/2024/03/22/study-on-correctly-predicting-valence-tautomerism-in-cobalt-complexes-published-in-chemical-science
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Welcome, Moss
Welcome to Moss Cowcher who just joined us as a Masters student.
goerigk.chemistry.unimelb.edu.au/2024/03/01/welcome-moss
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Congratulations, Domi, on completing your PhD
Congratulations, Domi, on successfully completing all the requirements for the PhD for your thesis entitled: “Effectively Benchmarking Density Functional Theory Methods for Models of Enzymatically Catalysed …
goerigk.chemistry.unimelb.edu.au/2024/01/24/congratulations-domi-on-completing-your-phd
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Ariel wins prize for best talk
Congratulations to Ariel Jones who won the prize for best talk at the 2024 Summer School organised by the Australian Mathematical Sciences Institute in Canberra. Her …
goerigk.chemistry.unimelb.edu.au/2024/01/22/ariel-wins-prize-for-best-talk
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New paper on enzyme benchmarking
Congratulations to Domi on her latest paper on DLPNO-CCSD(T1) extrapolation techniques for enzyme models and their impact on DFT benchmarking, which got published in The Journal …
goerigk.chemistry.unimelb.edu.au/2024/01/08/new-paper-on-enzyme-benchmarking
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Haseena wins poster prize
Congratulations to Haseena for winning the best poster prize at the Victorian Inorganic Chemistry Symposium. Her poster entitled “Exploring Valence Tautomerism in Cobalt Complexes of Bidentate …
goerigk.chemistry.unimelb.edu.au/2023/11/27/haseena-wins-poster-prize
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New paper on benchmarking metalloenzyme reactions
Congratulations to Domi for publishing her new MME55 set in JCTC. The paper describes the development of the first comprehensive benchmark set for metalloenzyme reactions and …
goerigk.chemistry.unimelb.edu.au/2023/11/14/new-paper-on-benchmarking-metalloenzyme-reactions
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New joint study in Journal of Materials Chemistry C
We are please to have contributed to this study led by the Abrahams group, which was published in the themed collection “Fundamentals and Applications of Functional …
goerigk.chemistry.unimelb.edu.au/2023/10/25/new-joint-study-in-journal-of-materials-chemistry-c
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Ariel Jones wins two prizes
Congratulations to Ariel Jones for winning two prizes at the RACI Physical Chemistry Division Student Conference in Katoomba: best talk as voted by academics and best …
goerigk.chemistry.unimelb.edu.au/2023/10/04/ariel-jones-wins-two-prizes
Number of posts found: 142