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Applications of the Cambridge Structural Database in chemical education

Gary M. Battle, Gregory M. Ferrence, Frank H. Allen
2010 Journal of Applied Crystallography  
Cryst. (2010). 43, 1208-1223 Gary M. Battle et al.  ...  Cryst. (2010). 43, 1208-1223 Gary M. Battle et al.  ... 
doi:10.1107/s0021889810024155 pmid:20877495 pmcid:PMC2943741 fatcat:righqzc4bfhafdmmunfhofijvq

Applications of the Cambridge Structural Database in chemical education

Gary M. Battle
2010 Acta Crystallographica Section A Foundations of Crystallography  
Gary M. Battle E-mail:. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, UK. Update on the Tutorial for Learning and Teaching Macromolecular Crystallography.  ...  For each of the seven experiments the raw images and the processed data are provided for learning or teaching the steps of data processing and structure determination. battle@ccdc.cam.ac.uk MS46-T03  ... 
doi:10.1107/s0108767310097540 fatcat:2pznjhecfjdgdi3rytdacpml6y

Efficient β-lactam synthesis via 4-exo atom transfer radical cyclisation using CuBr(tripyridylamine) complex

Andrew J Clark, Gary M Battle, Andrew Bridge
2001 Tetrahedron Letters  
The tripyridylamine copper(I) halide complex mediates the atom transfer radical cyclisation of bromo-enamides to give b-latams exclusively with no formation of g-latams. No evidence for y-lactam products. While cyclisation of trichloro-and dichloro-acetamide derivatives leads to α,β-unsaturated γlactams containing the gem-dihalide functional group, monohaloacetamides give rise to either cyclised atom transfer or reduction products depending upon the solvent and catalyst used.
doi:10.1016/s0040-4039(01)00737-7 fatcat:2lmd4mpt3bf4ziutdxs2tvhfi4

New software for statistical analysis of Cambridge Structural Database data

Richard A. Sykes, Patrick McCabe, Frank H. Allen, Gary M. Battle, Ian J. Bruno, Peter A. Wood
2011 Journal of Applied Crystallography  
A collection of new software tools is presented for the analysis of geometrical, chemical and crystallographic data from the Cambridge Structural Database (CSD). This software supersedes the programVista. The new functionality is integrated into the programMercuryin order to provide statistical, charting and plotting options alongside three-dimensional structural visualization and analysis. The integration also permits immediate access to other information about specific CSD entries through
more » ... ercuryframework, a common requirement in CSD data analyses. In addition, the new software includes a range of more advanced features focused towards structural analysis such as principal components analysis, cone-angle correction in hydrogen-bond analyses and the ability to deal with topological symmetry that may be exhibited in molecular search fragments.
doi:10.1107/s0021889811014622 pmid:22477784 pmcid:PMC3246811 fatcat:ai3ei7lcl5govji7bdt25252ce

Magnetic properties of Fe2GeMo3N; an experimental and computational study

Peter D. Battle, Lev A. Sviridov, Russell J. Woolley, Fernande Grandjean, Gary J. Long, C. Richard A. Catlow, Alexey A. Sokol, Aron Walsh, Scott M. Woodley
2012 Journal of Materials Chemistry  
DFT predicts an ordered moment of 1.831 m B per Fe.  ...  The reaction product has been studied by magnetometry, neutron diffraction and M€ ossbauer spectroscopy over the temperature range 1.8 # T/K # 700.  ...  We acknowledge the use of the free classical MC code from Dr M. De Vries and HPC resources on HECToR, made available to us through the EPSRC-funded (EP/ F067496) Materials Chemistry Consortium.  ... 
doi:10.1039/c2jm32574h fatcat:ev3mwjnzp5edllebk4g5ct3kly

Strategically placed landscape fuel treatments decrease fire severity and promote recovery in the northern Sierra Nevada

Carmen L. Tubbesing, Danny L. Fry, Gary B. Roller, Brandon M. Collins, Varvara A. Fedorova, Scott L. Stephens, John J. Battles
2019 Forest Ecology and Management  
Mean seedling densities for all conifer species were 7.8 seedlings m -2 in treated plots and only 1.4 seedlings m -2 in control plots.  ...  ) (Hopkinson and Battles 2015).  ...  Area of each treatment type applied in the treatment fireshedintensified to 250 m spacing in order to accommodate hydrological research in the two 4 instrumented catchments (Hopkinson and Battles, 2015  ... 
doi:10.1016/j.foreco.2019.01.010 fatcat:xzg7joaksrfxjlowpwoydwln4i

Perceptions of hatha yoga amongst persistently depressed individuals enrolled in a trial of yoga for depression

Lisa A. Uebelacker, Morganne Kraines, Monica K. Broughton, Geoffrey Tremont, L. Tom Gillette, Gary Epstein-Lubow, Ana M. Abrantes, Cynthia Battle, Ivan W. Miller
2017 Complementary Therapies in Medicine  
Objectives-To understand depressed individuals' experiences in a 10-week hatha yoga program.
doi:10.1016/j.ctim.2017.06.008 pmid:28917367 pmcid:PMC5679431 fatcat:u5hf536ewfhxlhjq5c7pg75zre

PDBe: Protein Data Bank in Europe

Aleksandras Gutmanas, Younes Alhroub, Gary M. Battle, John M. Berrisford, Estelle Bochet, Matthew J. Conroy, Jose M. Dana, Manuel A. Fernandez Montecelo, Glen van Ginkel, Swanand P. Gore, Pauline Haslam, Rowan Hatherley (+15 others)
2013 Nucleic Acids Research  
The Protein Data Bank in Europe (pdbe.org) is a founding member of the Worldwide PDB consortium (wwPDB; wwpdb.org) and as such is actively engaged in the deposition, annotation, remediation and dissemination of macromolecular structure data through the single global archive for such data, the PDB. Similarly, PDBe is a member of the EMDataBank organisation (emdatabank.org), which manages the EMDB archive for electron microscopy data. PDBe also develops tools that help the biomedical science
more » ... nity to make effective use of the data in the PDB and EMDB for their research. Here we describe new or improved services, including updated SIFTS mappings to other bioinformatics resources, a new browser for the PDB archive based on Gene Ontology (GO) annotation, updates to the analysis of Nuclear Magnetic Resonance-derived structures, redesigned search and browse interfaces, and new or updated visualisation and validation tools for EMDB entries.
doi:10.1093/nar/gkt1180 pmid:24288376 pmcid:PMC3965016 fatcat:rv2cpebl5ffzbdppo654oahfly

PDBe: improved accessibility of macromolecular structure data from PDB and EMDB

Sameer Velankar, Glen van Ginkel, Younes Alhroub, Gary M. Battle, John M. Berrisford, Matthew J. Conroy, Jose M. Dana, Swanand P. Gore, Aleksandras Gutmanas, Pauline Haslam, Pieter M. S. Hendrickx, Ingvar Lagerstedt (+21 others)
2015 Nucleic Acids Research  
', 'MAD' etc. diffrn detector.detector The type of detector used in the diffraction experiment computing.structure refinement Software used for refinement of the structure symmetry.space group name H-M  ... 
doi:10.1093/nar/gkv1047 pmid:26476444 pmcid:PMC4702783 fatcat:sqjtb2p3drbjncdycqrfr3m2lm

Page 429 of New McClure's Magazine Vol. 2, Issue 3 [page]

1926 New McClure's Magazine  
Steel , ces cor poration ri mplo /- children in a company learning the Nteel.” kindergarten, “Story of By Ipa M. TaARBELL So late in June he and Mrs. Gary sailed.  ...  Headaches have played a part in the loss of more battles than Waterloo.  ... 

Page 29 of New McClure's Magazine Vol. 1, Issue 2 [page]

1925 New McClure's Magazine  
on on ary ; but ds, ied lat ad ed wo d, ut v- as , XUM IDA M. mony, Which included much complicated accounting, Gary went home to study and digest what he had heard.  ...  Gary, and a little later, Gary, Cody & Gary—Judge is Gary into [yea oe _— 7 Ti Fs Ad Ad ded ii Piffif (if 4 in min WM a) I, Ht Hy!  ... 

Page 160 of American Spirit Vol. 60, Issue 3 [page]

1926 American Spirit  
The Life of Elbert Gary, by Ida M. Tar- bell. New York: D. Appleton and Company. 361 pages. Illustrated.  ...  One of the New Hamp- shire Gilmores is shown as a Representative to the General Court from 1777 to 1784; another was a private at the Battle of Bunker Hill, an- other a captain at the Battle of Ticonderoga  ... 

Page 37 of Guernsey Breeders' Journal Vol. 92, Issue 1 [page]

1954 Guernsey Breeders' Journal  
County winners in FFA were Don Price, Port Orchard, Jim Pearce, Battle Ground, Charles Capen, Yelm, Don McGillivary, NtMiksack, Richard Peter¬ son, Deer Park, Ed Barseth, Arlington, Gary Ward, Centralia  ...  , Fred Storm¬ shak, Enumclaw, and Gary Livingston, Sequim.  ... 

Page 196 of Everybody's Magazine Vol. 18, Issue 2 [page]

1908 Everybody's Magazine  
Gary, whom they had known M. Osborne lost a million dollars on a new intimately in Chicago. Gary had been self-binder that proved to be a failure. William Deering’s attorney for twenty-five 196  ...  Out of two vester business was nothing other than a ter- hundred companies that went to battle with rific and destructive war.  ... 

Annotations

CWBR Editor
2015 Civil War Book Review  
Penguin Press, $17.00 ISBN 9780143127758 Anderson, Gary Clayton Fall 2015 Anderson, Gary Clayton Ethnic Cleansing and the Indian: The Crime That Should Haunt America (new in paperback).  ...  McFarland, $45.00 ISBN 9780786499915 Lubetkin, John M. Fall 2015 Lubetkin, John M. Before Custer: Surveying the Yellowstone, 1872. The Arthur H.  ... 
doi:10.31390/cwbr.17.4.26 fatcat:2uh5dvybgzcl3dmdfjvxph567i
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