Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor"

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README.rtf

documentation archive 4450 disk0/00/00/04/40 2018-01-25 16:23:09 2024-07-18 12:31:42 2018-01-25 16:23:09 data_collection show Skelton Jonathan J.M.Skelton@bath.ac.uk 0000-0002-0395-1202 University of Bath TRUE DataCollector Bryant Mathew M.Bryant@bath.ac.uk University of Bath; Cambridge Crystallographic Data Centre ProjectMember Hatcher Lauren L.E.Hatcher@bath.ac.uk 0000-0002-1549-9727 University of Bath ProjectMember Stubbs Clare C.Stubbs@bath.ac.uk University of Bath ProjectMember Madrid Elena E.Madrid@bath.ac.uk University of Bath ProjectMember R. Pallipurath Anuradha A.Pallipurath@bath.ac.uk 0000-0002-9778-5160 University of Bath ProjectMember Thomas Lynne 0000-0003-3325-9644 ProjectMember Woodall Christopher C.H.Woodall@bath.ac.uk University of Bath ProjectMember Christensen Jeppe 0000-0002-1273-8307 Research Complex at Harwell ProjectMember Fuertes Sara 0000-0003-1812-3175 University of Bath ProjectMember Robinson Tom ~T.P.Robinson@bath.ac.uk University of Bath ProjectMember Beavers Christine 0000-0001-8653-5513 Advanced Light Source ProjectMember Teat Simon J 0000-0001-9515-2602 Lawrence Berkeley National Laboratory; Advanced Light Source ProjectMember Warren Mark M.R.Warren@bath.ac.uk Diamond Light Source ProjectMember Pradaux-Caggiano Fabienne F.Pradaux-Caggiano@bath.ac.uk 0009-0008-2941-6532 University of Bath ProjectMember Walsh Aron a.walsh@bath.ac.uk 0000-0001-5460-7033 University of Bath ProjectMember Marken Frank F.Marken@bath.ac.uk 0000-0003-3177-4562 University of Bath ProjectMember Carbery David D.Carbery@bath.ac.uk 0000-0003-4069-0934 University of Bath ProjectMember Parker Stephen S.C.Parker@bath.ac.uk 0000-0003-3804-0975 University of Bath ProjectMember Mckeown Neil B. 0000-0002-6027-261X University of Edinburgh ProjectMember Malpass-Evans Richard 0000-0002-6375-6273 University of Edinburgh ProjectMember Carta Mariolino 0000-0003-0718-6971 University of Edinburgh ProjectLeader Raithby Paul P.R.Raithby@bath.ac.uk 0000-0002-2944-0662 University of Bath Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor" BS0050 CG0020 CM0040 GE0030 KS0080 KS0140 dept_chem Data to accompany the article "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". This dataset contains data from the computational modelling carried out as part of this study, including optimised structures and simulated optical-absorption spectra. 2017-11-27 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K004956/1 Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/I01974X/1 Dynamic Structural Science at the RC@H Seventh Framework Programme https://doi.org/10.13039/501100004963 252883 Marie Curie Fellowship - New Switchable Organometallic Oligomers and Polymers Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L000202/1 Materials Chemistry High End Computing Consortium Partnership for Advanced Computing in Europe https://doi.org/10.13039/501100001943 13DECI0317/IsoSwitch IsoSwitch Basic Energy Sciences https://doi.org/10.13039/100006151 DE-AC02-05CH11231 Lawrence Berkeley National Laboratory (LBNL) en 1 10.15125/BATH-00440 https://doi.org/10.1038/s41467-017-01941-2 pub open