Search Results - "Chisholm, James A"

Mercury CSD 2.0- new features for the visualization and investigation of crystal structures by Macrae, Clare F., Bruno, Ian J., Chisholm, James A., Edgington, Paul R., McCabe, Patrick, Pidcock, Elna, Rodriguez-Monge, Lucia, Taylor, Robin, Van De Streek, Jacco, Wood, Peter A.

“…The program Mercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of…”
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Hydrogen‐bond coordination in organic crystal structures: statistics, predictions and applications by Galek, Peter T. A., Chisholm, James A., Pidcock, Elna, Wood, Peter A.

“…Statistical models to predict the number of hydrogen bonds that might be formed by any donor or acceptor atom in a crystal structure have been derived using…”
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A new algorithm for performing three-dimensional searches of the Cambridge Structural Database by Chisholm, James A., Motherwell, Sam

“…A search algorithm, 3DSEARCH, is presented that can readily identify challenging extended chemical queries from three‐dimensional molecular crystal structure…”
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An ab Initio Study of Observed and Hypothetical Polymorphs of Glycine by Chisholm, James A, Motherwell, Sam, Tulip, Paul R, Parsons, Simon, Clark, Stewart J

“…To investigate the merits of crystal structure prediction using ab initio computational techniques, we have used density functional (DFT) methods to…”
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Mary Sheldon Barnes: An Educator’s Life in Historical Context by Bohan, Chara Haeussler, Chisholm, James A.

“…The challenge of writing a historical biography is interesting from several perspectives. The writer primarily seeks to provide a clear picture of the subject…”
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Hydrogen-bond motifs in the crystals of hydrophobic amino acids by Fábián, László, Chisholm, James A., Galek, Peter T. A., Motherwell, W. D. Samuel, Feeder, Neil

“…A computer program has been developed to survey a set of crystal structures for hydrogen‐bond motifs. Possible ring and chain motifs are generated…”
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Unheralded Historian: Mary Sheldon Barnes and Primary Source Material in History Books by Chisholm, James A., Jr

“…In the latter part of the nineteenth century, Mary Sheldon Barnes emerged as a leading historical methods professor and history textbook author. Although men…”
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Mercury CSD 2.0 - new features for the visualization and investigation of crystal structures by Macrae, Clare F, Bruno, Ian J, Chisholm, James A, Edgington, Paul R, McCabe, Patrick, Pidcock, Elna, Rodriguez-Monge, Lucia, Taylor, Robin, Van De Streek, Jacco, Wood, Peter A

“…The program Mercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of…”
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Tick Fever In Nyasaland by Chisholm, James A.

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