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
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
Tracking molecular wave packets in cesium dimers by coherent Raman scattering

Tracking molecular wave packets in cesium dimers by coherent Raman scattering

Date: August 31, 2012
Creator: Yuan, Luqi; Murawski, Robert K.; Ariunbold, Gombojav O.; Zhi, Miaochan; Wang, Xi; Sautenkov, Vladimir A. et al.
Description: Article discussing tracking molecular wave packets in cesium dimers by coherent Raman scattering.
Contributing Partner: UNT College of Arts and Sciences
Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Date: September 21, 2011
Creator: Borden, Weston T., 1943-
Description: Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).
Contributing Partner: UNT College of Arts and Sciences
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules

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.
Description: Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
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: Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the possible existence of molecules BrKrCCKrBr and FKrCCKrCCKrF.
Contributing Partner: UNT Honors College
Adopt-A-Molecule: A guided Inquiry for Increasing Student Interest in Organic Chemistry [Presentation]

Adopt-A-Molecule: A guided Inquiry for Increasing Student Interest in Organic Chemistry [Presentation]

Date: April 15, 2010
Creator: Musgrave, Paul & Dandekar, Sushama Ashok
Description: Presentation for the 2010 University Scholars Day at the University of North Texas. This presentation discusses research on the Adopt-A-Molecule project, a 9-week long, two-part term project, undertaken by students enrolled in the first of the two-semester sequence in organic chemistry (Fall 2009).
Contributing Partner: UNT Honors College
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: Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the correlation-consistent composite approach (ccCA) and implementation of the resolution-of-the-identity approximation.
Contributing Partner: UNT Honors College
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