UNT Scholarly Works - 68 Matching Results

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open access

Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n + 1)ѕ Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox = tBu3SiO)

Description: Article discussing molybdenum and tungsten structural differences being dependent on ndz2/(n + 1)s mixing and a comparison of (silox)3MX/R (M = Mo, W; silox - tBu3SiO).
Date: July 15, 2008
Creator: Kuiper, David S.; Douthwalte, Richard E.; Mayoi, Ana-Rita; Wolczanski, Peter T.; Lobkovsky, Emil B.; Cundari, Thomas R., 1964- et al.
Partner: UNT College of Arts and Sciences
open access

BOV - a web-based BLAST output visualization tool

Description: Article discussing research on BOV, a web-based BLAST output visualization tool.
Date: September 15, 2008
Creator: Gollapudi, Rajesh; Revanna, Kashi V.; Hemmerich, Chris; Schaack, Sarah & Dong, Qunfeng
Partner: UNT College of Arts and Sciences
open access

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.
Partner: UNT College of Arts and Sciences
open access

Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Description: This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date: January 15, 2010
Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Partner: UNT College of Arts and Sciences
open access

Propagation of 0π pulses in a gas of three-level atoms

Description: Article on the propagation of 0π pulses in a gas of three-level atoms.
Date: June 15, 2011
Creator: Sun, Dong; Sariyanni, Zoe-Elizabeth; Das, Sumanta & Rostovtsev, Yuri V.
Partner: UNT College of Arts and Sciences
open access

Coherent control of refractive index in far-detuned Λ systems

Description: Article discussing research on the coherent control of refractive index in far-detuned Λ systems.
Date: December 15, 2011
Creator: O'Brien, Chris; Anisimov, Petr M.; Rostovtsev, Yuri V. & Kocharovskaya, Olga
Partner: UNT College of Arts and Sciences
open access

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
Partner: UNT College of Arts and Sciences
open access

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-
Partner: UNT College of Arts and Sciences
open access

Rapid isothermal annealing of As-, P-, and B-implanted silicon

Description: This article discusses rapid idothermal annealing of As-, P-, and B-implanted silicon.
Date: June 15, 1984
Creator: Wilson, Scott R.; Paulson, W. M.; Gregory, R. B.; Hamdi, A. H. & McDaniel, Floyd Del. (Floyd Delbert), 1942-
Partner: UNT College of Arts and Sciences
open access

Mathematical Correlations for Describing Solute Transfer into Functionalized Alkane Solvents Containing Hydroxyl, Ether, Ester or Ketone Solvents

Description: This article discusses mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents.
Date: November 15, 2010
Creator: Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Ye, Shulin; Achi, Sai S.; Acree, William E. (William Eugene) et al.
Partner: UNT College of Arts and Sciences
open access

Solubility of Benzodiazepines in Polyethylene Glycol 200 + Water Mixtures at 303.2 K

Description: Article discussing the solubility of benzodiazepines in polyethylene glycol 200 plus water mixtures at 303.2 K.
Date: June 15, 2009
Creator: Jouyban, Abolghasem; Shokri, Javad; Barzegar-Jalali, Mohammad; Hassanzadeh, Davoud; Acree, William E. (William Eugene); Ghafourian, Taravat et al.
Partner: UNT College of Arts and Sciences
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