Bibliography on Molecular and Crystal Structure Models

Bibliography on Molecular and Crystal Structure Models

Date: May 20, 1960
Creator: Smith, Deane K.
Description: Report that briefly describes many of the models of crystal and molecular structures which have appeared in the literature, and presents a bibliography of the publications, grouped according to model types, which describe the models in more detail.
Contributing Partner: UNT Libraries Government Documents Department
ReSource, Volume 12, 2000

ReSource, Volume 12, 2000

Date: 2000
Creator: University of North Texas
Description: ReSource magazine includes articles and notes about research at University of North Texas in various academic fields.
Contributing Partner: University Relations, Communications & Marketing department for UNT
Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species

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

Date: April 15, 2010
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Description: This presentation discusses research on the quantum mechanical prediction of the existence of rare gas-bound species.
Contributing Partner: UNT Honors College
Virial Theorem for a Molecule

Virial Theorem for a Molecule

Date: May 1972
Creator: Ranade, Manjula A.
Description: The usual virial theorem, relating kinetic and potential energy, is extended to a molecule by the use of the true wave function. The virial theorem is also obtained for a molecule from a trial wave function which is scaled separately for electronic and nuclear coordinates.
Contributing Partner: UNT Libraries
Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes

Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes

Date: May 1993
Creator: Cundari, Thomas R., 1964- & Gordon, Mark S.
Description: This article discusses small molecule elimination from group IVB (Ti, Zr, Hf) amido complexes. An ab initio quantum chemical analysis of HX (X = H, CH₃, Cl, NH₂, SiH₃) elimination by group IVB (Ti, Zr, Hf) amidos (H₂(X)M - NH₂ → H₂M = NH + HX), of interest in the context of CVD precursor design, is reported.
Contributing Partner: UNT College of Arts and Sciences
Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds

Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds

Date: July 24, 2010
Creator: Pouy, Mark J.; Milczek, Erika M.; Figg, Travis M.; Otten, Brooke M.; Prince, Bruce M.; Gunnoe, T. Brent et al.
Description: Article discussing flavin-catalyzed insertion of oxygen into rhenium-methyl bonds.
Contributing Partner: UNT College of Arts and Sciences
The Possible Existence of Molecules BrKrCCKrBr and FKrCCKrCCKrF

The Possible Existence of Molecules BrKrCCKrBr and FKrCCKrCCKrF

Date: April 2, 2009
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Description: This presentation discusses research on the possible existence of molecules BrKrCCKrBr and FKrCCKrCCKrF.
Contributing Partner: UNT Honors College
Conference on Quantum-Mechanical Methods in Valence Theory

Conference on Quantum-Mechanical Methods in Valence Theory

Date: 1952
Creator: unknown
Description: Proceedings from the Conference on Quantum-Mechanical Methods in Valence Theory organized into six sections: Atomic and Molecular Problems, The Link with Chemical Valence Concepts, Intermolecular and Nonbonded Interatomic Forces, Transcending the Primitive Approximations, Mathematical Developments, and Integrals. Some papers include additional discussion from other participants. Table of contents starts on page iii.
Contributing Partner: UNT Libraries Government Documents Department
The correlation-consistent composite approach: Implementation of the resolution-of-the-identity approximation

The correlation-consistent composite approach: Implementation of the resolution-of-the-identity approximation

Date: April 2, 2009
Creator: Lai, Jeremy; Wilson, Angela K. & Prascher, Brian
Description: This presentation discusses research on the correlation-consistent composite approach (ccCA). This research experiment tested RI-ccCA with G2/97 test set, over 100 second-row and third-row molecules, used Molpro, a computational chemistry software package, and the University of North Texas (UNT) Department of Chemistry's CRUNTCh supercomputers.
Contributing Partner: UNT Honors College
Chiral Porphyrins as Selective Pharmaceutical Receptors

Chiral Porphyrins as Selective Pharmaceutical Receptors

Date: April 19, 2012
Creator: Guess, Spencer & Verrill, Diane
Description: Poster presented at the 2009 University Scholars Day at UNT. This poster discusses research on chiral porphyrins as selective pharmaceutical receptors.
Contributing Partner: UNT Honors College
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