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Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory (open access)

Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory

This paper discusses a computational study on NiA1 and ground state, structure, and spectroscopic constants using density-functional theory.
Date: April 15, 2010
Creator: Janardan, Smitha S. & Cundari, Thomas R., 1964-
Object Type: Paper
System: The UNT Digital Library
Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™ (open access)

Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™

This paper discusses research on teaching students organic chemistry and a QEP III Next Generation (N-Gen) Course Redesign project.
Date: April 15, 2010
Creator: Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type: Paper
System: The UNT Digital Library

Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™

Presentation for the 2010 University Scholars Day at the University of North Texas discussing teaching students organic chemistry and a QEP III Next Generation course redesign.
Date: April 15, 2010
Creator: Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type: Presentation
System: The UNT Digital Library

Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species

Presentation for the 2010 University Scholars Day at the University of North Texas discussing quantum mechanical prediction of the existence of rare gas-bound species.
Date: April 15, 2010
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Object Type: Presentation
System: The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF (open access)

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

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
Object Type: Article
System: The UNT Digital Library
Mathematical Correlations for Describing Solute Transfer into Functionalized Alkane Solvents Containing Hydroxyl, Ether, Ester or Ketone Solvents (open access)

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

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.
Object Type: Article
System: The UNT Digital Library