Výsledky vyhledávání - "Paramjit Grewal"

Structure Elucidation of a Novel Aluminum Methylphosphonate, Al3(CH3PO3)2·O·(OH)3, through a Combination of X-ray Powder Diffraction, Solid-State NMR Spectroscopy, and Computational Energy Minimization

Autor: Vinton J. Carter, Paul A. Wright, Mark Edgar, Lesley-J. Sawers, Enrique Sastre, D.P. Tunstall, Paul A. Cox, Philip Lightfoot, Paramjit Grewal

Publikováno v: Chemistry of Materials. 14:3432-3439

A novel aluminum methylphosphonate, formula Al3(CH3PO3)2·O·(OH)3, has been prepared hydrothermally. Its structure was solved by a combination of 1-D MAS NMR and 2-D five-quantum MAS NMR spectroscopies, computational energy minimization using densit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::876cbca21114450c69f19360f49f0c0c
https://doi.org/10.1021/cm011296q

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Experimental and theoretical investigations of the structure and synthesis of inorganic-organic hybrid solids

Autor: N. Radhamonyamma, Paul A. Cox, Jorge Gonzalez, Paramjit Grewal, Paul A. Wright

Molecular Modelling methods have been combined with experimental methods in order to investigate the structure and properties of a range of microporous inorganic-organic hybrid solids. Density Functional Theory (DFT) is shown to reproduce known alumi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0cebfb7a3c2f5ca5816352e9252338c4
https://doi.org/10.1016/s0167-2991(04)80708-0

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Modelling the Structure and Properties of Aluminophosphonates

Autor: Paul A. Wright, Julian D. Gale, Paul A. Cox, Paramjit Grewal, Mark Edgar

Publikováno v: MRS Proceedings. 726

Several aluminophosphonate materials have been investigated using both semi-empirical quantum mechanical and Density Functional Theory (DFT) methodologies. The optimised structures obtained are in excellent agreement with experimental results. Import

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0f8b9454861c937f63602c069e6b72d2
https://doi.org/10.1557/proc-726-q2.5

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Structure solution of a novel aluminium methylphosphonate using a new simulated annealing program and powder X-ray diffraction data

Autor: D.P. Tunstall, Paul A. Cox, Vincent Favre-Nicolin, Vinton J. Carter, Philip Lightfoot, Mark Edgar, Paul A. Wright, Paramjit Grewal

Publikováno v: Chemical Communications. :808-809

The structure of a novel layered aluminium methylphosphonate, formula Al2(CH3PO3)3, has been solved from laboratory X-ray powder diffraction data by simulated annealing of five independent structural sub-units, revealing a combination of four- and fi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::544c864f2585bee4b4736f1750f5ddd9
https://doi.org/10.1039/b200318j

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Structural Studies and Computer Simulation of the Inclusion of Aromatic Hydrocarbons in a Zinc 2,6-Naphthalene Dicarboxylate Framework Compound

Autor: Paramjit Grewal, R. Nandini Devi, Alexandra M. Z. Slawin, Mark Edgar, Jorge Gonzalez, D.P. Tunstall, Paul A. Cox, Paul A. Wright

Publikováno v: Scopus-Elsevier

We have examined the structural response of a zinc 2,6-naphthalene dicarboxylate framework solid, isostructural with MOF-105, to the inclusion during crystallization of dimethylformamide, benzene, toluene, and p-xylene. These compounds, which are mad

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22dafbb8729deca768da024beb8205ab
http://www.scopus.com/inward/record.url?eid=2-s2.0-0942279394&partnerID=MN8TOARS

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