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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

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

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

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

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

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

Description and Vibrational Analysis of the Molecular Spectrum of Polonium

Description: Report issued by the Oak Ridge National Laboratory discussing the vibrational analysis of the molecular spectrum of polonium. Experimental procedures, results, and analysis are presented. This report includes tables, illustrations, and photographs.
Date: January 29, 1957
Creator: Charles, G. W.; Hunt, D. J.; Pish, G. & Timma, D. L.
Partner: UNT Libraries Government Documents Department

Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Description: Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences

Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen

Description: This article assesses rates of reactions in the context of atmospheric chemistry.
Date: August 31, 2016
Creator: Herath, Thushani N.; Clinch, Eric C.; Orozco, Ivan; Raign, Erin L. & Marshall, Paul
Partner: UNT College of Arts and Sciences

Photoionization and fragmentation of polyatomic molecules

Description: From chemical spectroscopy and photochemistry in the vacuum ultraviolet conference; Valmorin, Quebec, Canada (5 Aug 1973). The discussion of photoionization and fragmentation of polyatomic molecules covers experimental procedures, energy deposition, dissociation processes and the determination of thermochemical quantities, and diatomic and small and large polyatomic molecules. (JFP)
Date: January 1, 1973
Creator: Chupka, W.A.
Partner: UNT Libraries Government Documents Department

Molecular Dimensions

Description: This study attempts to calculate the areas of the cross section and diameter of the CH3 group, COOH group, the length of the carbon chain, and the longtiudinal distance between carbon atoms for each of the three acids. It also attempts to develop a method of measuring the effective diameter of molecules of gases. Equations for these terms as given by MacDougall and experiments were performed and the data applied to the equation.
Date: August 1938
Creator: Moss, H. H.
Partner: UNT Libraries