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A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

Description: This article discusses research that has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands.
Date: March 15, 2003
Creator: Cooney, Katharine D.; Cundari, Thomas R., 1964-; Hoffman, Norris W.; Pittard, Karl A.; Temple, M. Danielle & Zhao, Yong
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Quantitative Computational Thermochemistry of Transition Metal Species

Description: This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
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Reactions of TpRu(CO) (NCMe) (Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C-H Activation

Description: Article discussing reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with heteroaromatic substrates and stoichiometric and catalytic C-H activation.
Date: October 15, 2004
Creator: Pittard, Karl A.; Lee, John P.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
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Reply to the Comment "Intercluster correlation in Seismicity" by Helmstetter and Sornette

Description: This paper is a reply to the comment by Helmstetter and Sornette titled "Intercluster correlation in Seismicity" which addresses an important point in a paper written by the authors that needs to be clarified.
Date: September 15, 2003
Creator: Mega, Mirko S.; Allegrini, Paolo; Grigolini, Paolo; Latora, Vito; Palatella, Luigi; Rapisarda, Andrea et al.
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State-selective charge transfer cross sections for light ion impact of atomic hydrogen

Description: This article compares results of approaches applicable in a lower impact energy regime by benchmarking them using key experimental data in order to make knowledge of these cross sections available across the range parameters needed by fusion plasma diagnostics.
Date: January 15, 2015
Creator: Schultz, David R.; Stancil, P.C. & Havener, C.C.
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Structural Consideration in Designing Organotin Polyethers to Arrest the Growth of Breast Cancer Cells In Vitro

Description: The article looks at antitumor activity using a matched pair of cell lines MDA-MB-231 cells that are estrogen-independent, estrogen receptor negative and MCF-7 cells, a cell line that is estrogen receptor (ER) positive. Those polyethers that contained a O-phenyl unit were able to significantly inhibit the non-estrogen sensitive cell line but were much less effective against the estrogen sensitive cell line; that is, the human breast cancer cell line MDA-MB-231 showed better test results for pol… more
Date: April 15, 2011
Creator: Carraher, Charles E., Jr.; Roner, Michael R.; Shahi, Kimberly & Barot, Girish
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Supporting Material for: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model

Description: This document includes supporting material for an article titled, "Enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model," published in the Journal of Chemical Information and Modeling.
Date: December 15, 2007
Creator: Mintz, Christina; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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Welcome Home: Reintegration of Veterans and Families

Description: This presentation is part of the faculty lecture series UNT Speaks Out on Coming Home and discusses the reintegration of veterans and families. The author directs the Family Attachment Lab and is conducting the Student Veteran Research Project. In this presentation, she discusses the family relationships of veterans after deployment.
Date: November 15, 2012
Creator: Riggs, Shelley A.
Item Type: Refine your search to only Presentation
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