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

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).
Date: April 15, 2010
Creator: Musgrave, Paul & Dandekar, Sushama Ashok
Partner: UNT Honors College

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

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.
Date: April 2, 2009
Creator: Lai, Jeremy; Wilson, Angela K. & Prascher, Brian
Partner: UNT Honors College

Conference on Quantum-Mechanical Methods in Valence Theory

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.
Date: 1952
Partner: UNT Libraries Government Documents Department

Microwave Spectral Tables: Volume 3. Polyatomic Molecules With Internal Rotation

Description: From Introduction: "This volume contains data on the microwave spectra of 94 polyatomic molecules capable of exhibiting internal rotation, based upon a search of the literature up to July, 1962, but including some information of later dates."
Date: June 1969
Creator: Wacker, Paul F.; Cord, Marian S.; Burkhard, Donald G.; Petersen, Jean D. & Kukol, Raymond F.
Partner: UNT Libraries Government Documents Department

Pictorial Studies of Molecules 1: Molecular Orbital Density Comparisons of H2, Li2, B2, C2, N2, O2, and F2

Description: From Review of Theory: " In practice, a very close approximation to the molecular orbitals can be obtained in this way. Recent calculations of this type, utilizing analysis and computer programs developed by the author, have resulted in the determination of the molecular orbitals for a large number of diatomic molecules in the form of Eq. (2). These functions, which are thought to be very close to the Hartree-Fock (i.e., the molecular orbitals demanded by theory) result, were used in the pictorial calculations presented in this report."
Date: July 1965
Creator: Wahl, Arnold C.
Partner: UNT Libraries Government Documents Department

Tables of Einstein Functions: Vibrational Contributions to the Thermodynamic Functions

Description: From Introduction: "The recent acceptance by physicists and chemists of new values for the fundamental constants and the continued demand for expanded and convenient tables prompted the recomputation and preparation of this volume. The authors have tried to incorporate this work a number of the more desirable features of the above-cited works, particularly with respect to their use in calculations involving: Thermodynamic properties of gases; specific heats, electrical and thermal conductivity of solids; and molecular structure and spectroscopy of diatomic and polyatomic molecules. It is the hope of the authors that formal character of this publication will insure a more adequate notice and dissemination than was accorded the earlier works, thereaby reducing the probability of still further duplication of effort."
Date: July 12, 1962
Creator: Hilsenrath, Joseph & Ziegler, Guy G.
Partner: UNT Libraries Government Documents Department

Microwave Spectral Tables: [Volume 1.] Diatomic Molecules

Description: From Abstract: "For about 1500 spectral lines of diatomic molecules observed by coherent radiation techniques, measured frequencies, assigned quantum numbers, and newly computed intensities are given."
Date: December 1, 1964
Creator: Wacker, Paul F.; Mizushima, Masataka; Peterson, Jean D. & Ballard, Joe R.
Partner: UNT Libraries Government Documents Department

Virial Theorem for a Molecule

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.
Date: May 1972
Creator: Ranade, Manjula A.
Partner: UNT Libraries

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

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.
Date: May 1993
Creator: Cundari, Thomas R., 1964- & Gordon, Mark S.
Partner: UNT College of Arts and Sciences

Bibliography on Molecular and Crystal Structure Models

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.
Date: May 20, 1960
Creator: Smith, Deane K.
Partner: UNT Libraries Government Documents Department