Výsledky vyhledávání - "P D, Woodgate"

Akademický článek

Structure, short-range order, and phase stability of the Al x CrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis

Autor: Christopher D. Woodgate, George A. Marchant, Livia B. Pártay, Julie B. Staunton

Publikováno v: npj Computational Materials, Vol 10, Iss 1, Pp 1-15 (2024)

Abstract We study the phase behaviour of the Al x CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of de

Externí odkaz: https://doaj.org/article/173c25a3902148acb7c9eae59390d2fc

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Akademický článek

Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets

Autor: Christopher D. Woodgate, Laura H. Lewis, Julie B. Staunton

Publikováno v: npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)

Abstract We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its dependenc

Externí odkaz: https://doaj.org/article/93466dd5fc144f038e2e0bc45962eb60

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Akademický článek

Carbonylchlorido(1-methylsulfanylpenta-1,3-dien-1-yl-5-ylidene)bis(triphenylphosphane)osmium(II)

Autor: Paul M. Johns, Warren R. Roper, Scott D. Woodgate, L. James Wright

Publikováno v: Acta Crystallographica Section E, Vol 65, Iss 11, Pp m1319-m1319 (2009)

The crystal structure of the title compound, [Os(C6H7S)Cl(C18H15P)2(CO)], confirms the formulation as an osmabenzene. There is a slightly distorted octahedral coordination environment at the OsII ion, with the triphenylphosphane ligands mutually tran

Externí odkaz: https://doaj.org/article/86158ae323fb400bb0899e2ac3e81bad

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η6-Tricarbonylchromium Complexes of Methyl 4,6-O-Benzylidene-α-D-glucopyranosides

Autor: Zhongde Zhao, C. E. F. Rickard, P. D. Woodgate

Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 54:1420-1424

The structures of the η6-tricarbonylchromium complexes of four methyl 4,6-O-benzylidene-α-glucopyranosides, (2)–(5), have been determined, as well as that of the free monosaccharide, (1). These compounds are (R)-methyl 2,3-di-O-methyl-4,6-O-benzy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::06800771e357db37e9755110eb7b83e6
https://doi.org/10.1107/s0108270198005976

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ChemInform Abstract: Synthesis and Evaluation of DNA-Targeted Spatially Separated Bis( aniline Mustards) as Potential Alkylating Agents with Enhanced DNA Cross-Linking Capability

Autor: Laurence P. G. Wakelin, William A. Denny, Trudi A. Gourdie, P. D. Woodgate, A. S. Prakash

Publikováno v: ChemInform. 22

DNA-targeted separated bis-mustards were synthesized by attaching aniline mono-mustards at the 4- and 9-positions of the DNA-intercalating ligand 9-aminoacridine-4-carboxamide, with the intention of improving the low cross-link to monoadduct ratio fo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::108e2c6a561151aaca5f1f1e69bbf993
https://doi.org/10.1002/chin.199123155

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Synthesis and evaluation of DNA-targeted spatially separated bis(aniline mustards) as potential alkylating agents with enhanced DNA cross-linking capability

Autor: William A. Denny, Trudi A. Gourdie, A. S. Prakash, Laurence P. G. Wakelin, P. D. Woodgate

Publikováno v: Journal of Medicinal Chemistry. 34:240-248

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b0e7ddba7650dd91dfec575435b11eb
https://doi.org/10.1021/jm00105a038

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