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eBank CombeDay PowerPoint PPT Presentation

eBank CombeDay - eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data Simon Coles School of Chemistry, University of Southampton, U.K. s.j.coles@soton.ac.uk

eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data Simon Coles School of Chemistry, University of Southampton, U.K. s.j.coles@soton.ac.uk

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eBank CombeDay - ... approach for sharing failed' experiments? Machines Blogging ... Need for more advanced Blog tools / technology. Current Situation - Data Deluge. 30,000,000 ...

... approach for sharing failed' experiments? Machines Blogging ... Need for more advanced Blog tools / technology. Current Situation - Data Deluge. 30,000,000 ...

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eBank CombeDay - Diffractometer. Grid Middleware. Structures. Database. CombeDay 2005. 4 ... Initialisation: mount new sample on diffractometer & set up data collection ...

Diffractometer. Grid Middleware. Structures. Database. CombeDay 2005. 4 ... Initialisation: mount new sample on diffractometer & set up data collection ...

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eBank CombeDay - DOI http://dx.doi.org/10.1594/ecrystals.chem.soton.ac.uk/145 ... Full embedding in daily laboratory practice. Roll out to other institutions ...

DOI http://dx.doi.org/10.1594/ecrystals.chem.soton.ac.uk/145 ... Full embedding in daily laboratory practice. Roll out to other institutions ...

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e-Prints - Recent advances through CombiChem, CombeChem & NCS activities have led to very ... Thanks to Les Carr, Chris Bailey & Chris Gutteridge (IAM Group, ECS) and the ...

Recent advances through CombiChem, CombeChem & NCS activities have led to very ... Thanks to Les Carr, Chris Bailey & Chris Gutteridge (IAM Group, ECS) and the ...

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Using eScience to probe structure and bonding in metal complexes: Database mining and computation PowerPoint PPT Presentation

Using eScience to probe structure and bonding in metal complexes: Database mining and computation - Mairi Haddow, Stephanie Harris, Jeremy Harvey, Tom Leyssens, Ralph Mansson, A. ... He8 steric probe [Cl3PdP(Me)2(CF3)]- 61 ligands, ca. ...

Mairi Haddow, Stephanie Harris, Jeremy Harvey, Tom Leyssens, Ralph Mansson, A. ... He8 steric probe [Cl3PdP(Me)2(CF3)]- 61 ligands, ca. ...

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Natalie Fey CombeDay, 8 January 2004 University of Southampton PowerPoint PPT Presentation

Natalie Fey CombeDay, 8 January 2004 University of Southampton - established measures of steric and electronic properties ... energetic: EHOMO, ELUMO, PA, BDE, He(steric) NBO charges of MLn fragments coordinated to PX3 ...

established measures of steric and electronic properties ... energetic: EHOMO, ELUMO, PA, BDE, He(steric) NBO charges of MLn fragments coordinated to PX3 ...

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