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Computational Inorganic Chemistry Group, University ofOxford

Homepage of the John McGrady's Computational Inorganic Chemistry Group, Inorganic Chemistry Laboratory, South Parks Road, University of Oxford. The group's research interests focus on the electronic structure of inorganic systems in the broadest sense. We apply modern computational methods (typically density functional theory) to a diverse range of problems drawn from both transition-metal and main-group chemistry. Members: John McGrady, W. M. C. Sameera,Vihar Georgiev,Tobias Kramer, Muhsen Al-Ibadi, P. J.

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Computational Inorganic Chemistry Group, University ofOxford | mcgrady.chem.ox.ac.uk Reviews
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Homepage of the John McGrady's Computational Inorganic Chemistry Group, Inorganic Chemistry Laboratory, South Parks Road, University of Oxford. The group's research interests focus on the electronic structure of inorganic systems in the broadest sense. We apply modern computational methods (typically density functional theory) to a diverse range of problems drawn from both transition-metal and main-group chemistry. Members: John McGrady, W. M. C. Sameera,Vihar Georgiev,Tobias Kramer, Muhsen Al-Ibadi, P. J.
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Computational Inorganic Chemistry Group, University ofOxford | mcgrady.chem.ox.ac.uk Reviews

https://mcgrady.chem.ox.ac.uk

Homepage of the John McGrady's Computational Inorganic Chemistry Group, Inorganic Chemistry Laboratory, South Parks Road, University of Oxford. The group's research interests focus on the electronic structure of inorganic systems in the broadest sense. We apply modern computational methods (typically density functional theory) to a diverse range of problems drawn from both transition-metal and main-group chemistry. Members: John McGrady, W. M. C. Sameera,Vihar Georgiev,Tobias Kramer, Muhsen Al-Ibadi, P. J.

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mcgrady.chem.ox.ac.uk mcgrady.chem.ox.ac.uk
1

Computational Inorganic Chemistry Group, University of Oxford

http://mcgrady.chem.ox.ac.uk/members.html

Prof John E. McGrady. BA University of Oxford. PhD The Australian National University. E-mail: john.mcgrady@chem.ox.ac.uk. Postdoctoral Research Associates (PDRAs). BA and MA University of Vilnius, Lithuania. PhD University of Copenhagen, Denmark. E-mail: vaida.arcisauskaite@chem.ox.ac.uk. Web: http:/ mcgrady.chem.ox.ac.uk/vaida.html. Daniel DeBrincat (DPhil student, year 4). BSc (Hons.) in Chemistry and Biology. University of Malta, Malta. E-mail: daniel.debrincat@new.ox.ac.uk. BSc and MSc in Chemistry.

2

Computational Inorganic Chemistry Group, University of Oxford

http://mcgrady.chem.ox.ac.uk/vaida.html

Physical and Thoeretical Chemistry Laboratory. Oxford, OX1 3QZ. E-mail: vaida.arcisauskaite@chem.ox.ac.uk. PhD in Computational Chemistry University of Copenhagen. MA in Physics/Environmental and Chemical Physics University of Vilnius. Lithuania and University of Copenhagen. BA in Physics/Modern Technologies Physics and Management University of Vilnius. 1 Structure and bonding in a bimettalic endohedral cage, [Co. V Arcisauskaite, M. Spivak and J. E. McGrady, Inorg. Chim. Acta. M = Mg, Ca and Al),. 8 Ele...

3

Computational Inorganic Chemistry Group, University of Oxford

http://mcgrady.chem.ox.ac.uk/publications.html

142) On the structural landscape in endohedral silicon and germanium clusters, M@Si. J M Goicoechea and J. E. McGrady. Also see Dalton blog. Structure and bonding in trimetallic arrays containing a Cr-Cr quadruple bond: A challenge to density functional theory. V Arcisauskaite, M. Spivak and J. E. McGrady. 140) Synthesis and Characterization of [Ru@Ge. An Endohedral 3-Connected Cluster. J Am Chem. Soc. Eur J Inorg. Chem. 137) On the coordination chemistry of phosphinecarboxamide: assessing ligand basicity.

4

Computational Inorganic Chemistry Group, University of Oxford

http://mcgrady.chem.ox.ac.uk/seminars.html

Computational Inorganic Chemistry Group, University of Oxford. 18-04-2009 P. J. Mohan. 30-06-2010 W. M. C. Sameera. 07-07-2010 John E. McGrady. Inorganic Chemistry Laboratory, South Parks Road, University of Oxford, OX1 3QR, United Kingdom. Page last modified by W. M. C. Sameera - 02/05/2010.

5

Computational Inorganic Chemistry Group, University of Oxford

http://mcgrady.chem.ox.ac.uk/teaching.html

Inorganic Chemistry Laboratory, South Parks Road, University of Oxford, OX1 3QR, United Kingdom.

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John McGrady - Research Guides

http://research.chem.ox.ac.uk/john-mcgrady.aspx

Professor John E. McGrady. Johnmcgrady@chem.ox.ac.uk. Telephone: 44 (0) 1865 275 406. Research Interest Updated 27/03/2015. The Jigsaw model for metal cluster compound. On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12. And J E. McGrady,. Synthesis and Characterization of [Ru@Ge12] 3- : An Endohedral 3- Connected Cluster. G Espinoza-Quintero, J. C. A. Duckworth, W. K. Myers, J. E. McGrady and J. M. Goicoechea,. J Am Chem. Soc. And J E. McGrady,. Attenuation of co...

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Biography - W. M. C. Sameera

http://www.wmcsameera.com/biography.html

W M C Sameera. I studied chemistry and physics at the University of Sri Jayewardenepura. In 2009, I was awarded a PhD from the University of Glasgow. Under the supervision of Prof. John E. McGrady. Now in Oxford). Objective of my doctoral dissertation was to use DFT and QM/MM methods to explore the link between the low-lying electronic states of the transition metal clusters and their functions either in reactivity or magnetic properties. My dissertation was examined by Prof. Rob Deeth. My projects at FI...

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Computational Inorganic Chemistry Group, University ofOxford

Prof John E. McGrady. The group's research interests focus on the electronic structure of inorganic systems. We apply a variety of computational methods to a range of problems drawn from both transition-metal and main-group chemistry. The vast majority of our work involves close collaboration with experimental groups involved in the study of electronic structure, magnetochemistry, electrochemistry and reactivity. You can find out more about our research interests. And see a list of publications. Synthesi...

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Send us an email. Find us on the map. 23 Morrisey Way, Rouse Hill NSW 2155. PO Box 3066, Rouse Hill NSW 2155. 02) 9629-4200 0413 408 808. McGrady Business Services is a small Public Accounting practice located in Rouse Hill (in the Hills District of North Western Sydney). As the Principal Accountant I am a Member of the Institute of Public Accountants and have over 16 years experience providing a wide range of Accounting and Taxation services to Individual and Small Business clients. ABN 71 112 865 031.

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