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Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature (open access)

Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature

Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.
Date: 2011
Creator: Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms (open access)

Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms

Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Date: February 12, 2010
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4 (open access)

Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date: August 18, 2009
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Photoelectron Spectroscopic Study of the Oxyallyl Diradical (open access)

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

Article on a photoelectron spectroscopic study of the oxyallyl diradical.
Date: February 16, 2011
Creator: Ichino, Takatoshi; Villano, Stephanie M.; Gianola, Adam J.; Goebbert, Daniel J.; Velarde, Luis; Sanov, Andrei et al.
Object Type: Article
System: The UNT Digital Library
Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes (open access)

Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes

Article discussing the templated growth of hexagonal nickel carbon nanocrystals on vertically aligned carbon nanotubes.
Date: May 18, 2010
Creator: Hwang, Jun Y.; Singh, Antariksh; Chaudhari, Mrunalkumar; Tiley, Jaimie S.; Zhu, Y. T. (Yuntian T.), 1963-; Du, Jincheng et al.
Object Type: Article
System: The UNT Digital Library
Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups (open access)

Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Date: April 20, 2011
Creator: Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Urban Water Demand Estimates Under Increasing Block Rates (open access)

Urban Water Demand Estimates Under Increasing Block Rates

This article discusses urban water demand estimates under increasing block rates.
Date: January 1988
Creator: Nieswiadomy, Michael L. & Molina, David J.
Object Type: Article
System: The UNT Digital Library

Geographic Distribution of HIV/AIDS in Texas

This presentation is part of the faculty lecture series UNT Speaks Out on HIV/AIDS. This presentation discusses the geographic distribution of HIV/AIDS in Texas and the associated factors.
Date: December 1, 2011
Creator: Oppong, Joseph R.
Object Type: Presentation
System: The UNT Digital Library
With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations (open access)

With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations

Article discussing forty years of fruitful chemical collaborations and the author's perspective on collaborative research in eight different areas of organic and theoretical chemistry.
Date: March 31, 2011
Creator: Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Input Substitution in Irrigated Agriculture in the High Plains of Texas, 1970-80 (open access)

Input Substitution in Irrigated Agriculture in the High Plains of Texas, 1970-80

This article discusses input substitution in irrigated agriculture in the high plains of Texas.
Date: July 1988
Creator: Nieswiadomy, Michael L.
Object Type: Article
System: The UNT Digital Library
Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures (open access)

Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures

Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.
Date: May 27, 2010
Creator: Zhang, Xue; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2] (open access)

Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]

Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Date: February 22, 2011
Creator: Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
Object Type: Article
System: The UNT Digital Library
Fractional Brownian motion as a nonstationary process: An alternative paradigm for DNA sequences (open access)

Fractional Brownian motion as a nonstationary process: An alternative paradigm for DNA sequences

Article discussing the fractional Brownian motion (FBM) as a nonstationary process and an alternative paradigm for DNA sequences.
Date: April 1998
Creator: Allegrini, Paolo; Buiatti, Marco, 1972-; Grigolini, Paolo & West, Bruce J.
Object Type: Article
System: The UNT Digital Library
Anomalous diffusion and ballistic peaks: A quantum perspective (open access)

Anomalous diffusion and ballistic peaks: A quantum perspective

Article discussing research on anomalous diffusion and ballistic peaks.
Date: June 1998
Creator: Stefancich, Marco; Allegrini, Paolo; Bonci, Luca; Grigolini, Paolo & West, Bruce J.
Object Type: Article
System: The UNT Digital Library
Non-Gaussian statistics of anomalous diffusion: The DNA sequences of prokaryotes (open access)

Non-Gaussian statistics of anomalous diffusion: The DNA sequences of prokaryotes

This article discusses a non-Gaussian indicator to measure the deviation from Gaussian statistics of a diffusion process generated by dichotomous fluctuations with infinite memory.
Date: September 1998
Creator: Allegrini, Paolo; Buiatti, Marco, 1972-; Grigolini, Paolo & West, Bruce J.
Object Type: Article
System: The UNT Digital Library
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods (open access)

The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Date: March 17, 2006
Creator: DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
The correlation-consistent composite approach: Application to the G3/99 test set (open access)

The correlation-consistent composite approach: Application to the G3/99 test set

Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Date: September 13, 2006
Creator: DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3) (open access)

The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)

Article discussing research on the butterfly dimer [(ᵗBu₃SiO)Cr]₂(μ-OSiᵗBu₃)₂ and its oxidative cleavage to (ᵗBu₃SiO)₂Cr(=N-N=CPh₂)₂ and (ᵗBu₃SiO)₂Cr=N(2,6-Ph₂-C₆H₃).
Date: January 12, 2006
Creator: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr (open access)

Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr

Article discussing low-coordinate chromium siloxides and the "box" [Cr(μ-Cl)(μ-OSiᵗBu₃)]₄, distorted trigonal [(ᵗBu₃SiO)₃Cr][Na(benzene)] and [(ᵗBu₃SiO)₃Cr][Na(dibenzo-18-c-6)], and trigonal (ᵗBu₃SiO)₃Cr.
Date: March 24, 2005
Creator: Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene (open access)

Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene

Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.
Date: October 6, 2005
Creator: Zhang, Jubo; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Boyle, Paul D.; Petersen, Jeffrey L. et al.
Object Type: Article
System: The UNT Digital Library
Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes (open access)

Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes

This article discusses human glutathione synthetase, an enzyme that belongs to the glutathione synthetase ATP-binding domain-like superfamily.
Date: February 27, 2004
Creator: Dinescu, Adriana; Cundari, Thomas R., 1964-; Bhansali, Vikas S.; Luo, Jia-Li & Anderson, Mary E.
Object Type: Article
System: The UNT Digital Library
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules (open access)

Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules

Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
Date: January 19, 2008
Creator: DeYonker, Nathan J.; Mintz, Benjamin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals (open access)

Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals

Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.
Date: April 29, 2005
Creator: Buda, Corneliu; Kazi, Abul B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Tunneling rate fluctuations induced by nonlinear resonances: A quantitative treatment based on semiclassical arguments (open access)

Tunneling rate fluctuations induced by nonlinear resonances: A quantitative treatment based on semiclassical arguments

This article discusses tunneling rate fluctuations induced by nonlinear resonances. The authors investigate the tunneling process between two symmetric stable islands of a forced pendulum Hamiltonian in the weak chaos regime.
Date: November 1998
Creator: Bonci, Luca; Farusi, Andrea; Grigolini, Paolo & Roncaglia, Roberto
Object Type: Article
System: The UNT Digital Library