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The resonant-scattering contributions to single-crystal X-ray diffraction data enable the absolute structure of crystalline materials to be determined. Crystal structures can be determined even if they contain considerably disordered regions because
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03c0ea722bb20dfbf6f1c02d31a56b7d
https://ora.ox.ac.uk/objects/uuid:f8cf5a21-02cd-4f24-9619-729a254e940e
https://ora.ox.ac.uk/objects/uuid:f8cf5a21-02cd-4f24-9619-729a254e940e
A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp)₂]²+ (bpp = 2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::1d372dfebebb966666f08ab33bf6fbf3
Autor:
Bryant, MJ, Skelton, JM, Hatcher, LE, Stubbs, C, Madrid, E, Pallipurath, AR, Thomas, LH, Woodall, CH, Christensen, J, Fuertes, S, Robinson, TP, Beavers, CM, Teat, SJ, Warren, MR, Pradaux-Caggiano, F, Walsh, A, Marken, F, Carbery, DR, Parker, SC, McKeown, NB, Malpass-Evans, R, Carta, M, Raithby, PR
Publikováno v:
Nature communications, vol 8, iss 1
Bryant, M J, Skelton, J M, Hatcher, L E, Stubbs, C, Madrid, E, Pallipurath, A R, Woodall, C H, Christensen, J, Fuertes, S, Robinson, T P, Beavers, C M, Teat, S J, Warren, M R, Pradaux-caggiano, F, Walsh, A, Marken, F, Carbery, D R, Mckeown, N B, Carta, M, Raithby, P R, Thomas, L H, Parker, S C & Malpass-Evans, R 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor ', Nature Communications, vol. 8, no. 1 . https://doi.org/10.1038/s41467-017-01941-2
Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
Nature Communications
Bryant, M J, Skelton, J M, Hatcher, L E, Stubbs, C, Madrid, E, Pallipurath, A R, Thomas, L H, Woodall, C H, Christensen, J, Fuertes, S, Robinson, T P, Beavers, C M, Teat, S J, Warren, M R, Pradaux-Caggiano, F, Walsh, A, Marken, F, Carbery, D R, Parker, S C, Mckeown, N B, Malpass-Evans, R, Carta, M & Raithby, P R 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor ', Nature Communications, vol. 8, no. 1, 1800 . https://doi.org/10.1038/s41467-017-01941-2
Bryant, MJ; Skelton, JM; Hatcher, LE; Stubbs, C; Madrid, E; Pallipurath, AR; et al.(2017). A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications, 8(1). doi: 10.1038/s41467-017-01941-2. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/0gc3k8tj
Bryant, M, Skelton, J, Hatcher, L, Stubbs, C, Madrid, E, R. Pallipurath, A, Thomas, L, Woodall, C, Christensen, J, Fuertes, S, Robinson, T, Beavers, C M, Teat, S J, Warren, M R, Pradaux-Caggiano, F, Walsh, A, Marken, F, Carbery, D, Parker, S, Mckeown, N B, Malpass-evans, R, Carta, M & Raithby, P 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer based chemical sensor ', Nature Communications, vol. 8, 1800, pp. 1-9 . https://doi.org/10.1038/s41467-017-01941-2
Bryant, M J, Skelton, J M, Hatcher, L E, Stubbs, C, Madrid, E, Pallipurath, A R, Woodall, C H, Christensen, J, Fuertes, S, Robinson, T P, Beavers, C M, Teat, S J, Warren, M R, Pradaux-caggiano, F, Walsh, A, Marken, F, Carbery, D R, Mckeown, N B, Carta, M, Raithby, P R, Thomas, L H, Parker, S C & Malpass-Evans, R 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor ', Nature Communications, vol. 8, no. 1 . https://doi.org/10.1038/s41467-017-01941-2
Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
Nature Communications
Bryant, M J, Skelton, J M, Hatcher, L E, Stubbs, C, Madrid, E, Pallipurath, A R, Thomas, L H, Woodall, C H, Christensen, J, Fuertes, S, Robinson, T P, Beavers, C M, Teat, S J, Warren, M R, Pradaux-Caggiano, F, Walsh, A, Marken, F, Carbery, D R, Parker, S C, Mckeown, N B, Malpass-Evans, R, Carta, M & Raithby, P R 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor ', Nature Communications, vol. 8, no. 1, 1800 . https://doi.org/10.1038/s41467-017-01941-2
Bryant, MJ; Skelton, JM; Hatcher, LE; Stubbs, C; Madrid, E; Pallipurath, AR; et al.(2017). A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications, 8(1). doi: 10.1038/s41467-017-01941-2. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/0gc3k8tj
Bryant, M, Skelton, J, Hatcher, L, Stubbs, C, Madrid, E, R. Pallipurath, A, Thomas, L, Woodall, C, Christensen, J, Fuertes, S, Robinson, T, Beavers, C M, Teat, S J, Warren, M R, Pradaux-Caggiano, F, Walsh, A, Marken, F, Carbery, D, Parker, S, Mckeown, N B, Malpass-evans, R, Carta, M & Raithby, P 2017, ' A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer based chemical sensor ', Nature Communications, vol. 8, 1800, pp. 1-9 . https://doi.org/10.1038/s41467-017-01941-2
Selective, robust and cost-effective chemical sensors for detecting small volatile-organic compounds (VOCs) have widespread applications in industry, healthcare and environmental monitoring. Here we design a Pt(II) pincer-type material with selective
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::13b00867111a2978713bf554b27e55fc
https://escholarship.org/uc/item/0gc3k8tj
https://escholarship.org/uc/item/0gc3k8tj
Autor:
Woodall, CH, Christensen, J, Skelton, JM, Hatcher, LE, Parlett, A, Raithby, PR, Walsh, A, Parker, SC, Beavers, CM, Teat, SJ, Intissar, M, Reber, C, Allan, DR
Publikováno v:
Woodall, CH; Christensen, J; Skelton, JM; Hatcher, LE; Parlett, A; Raithby, PR; et al.(2016). Observation of a re-entrant phase transition in the molecular complex tris(μ2-3,5-diisopropyl-1,2,4-triazolato-κ2N1:N2)trigold(I) under high pressure. IUCrJ, 3, 367-376. doi: 10.1107/S2052252516013129. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/2zv15372
© 2016. We report a molecular crystal that exhibits four successive phase transitions under hydrostatic pressure, driven by aurophilic interactions, with the ground-state structure re-emerging at high pressure. The effect of pressure on two polytype
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::075fc57b11af85e046ab2ff579b2ccaf
http://www.escholarship.org/uc/item/2zv15372
http://www.escholarship.org/uc/item/2zv15372
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