Physical Sciences and Mathematics Commons^™

Matrix-Infrared Spectra Of Structural Isomers Of The Phosphorus Oxysulfide P4s3o, Zofia Mielke, Lester Andrews, Kiet A. Nguyen, Mark S. Gordon

Mark S. Gordon

Photolysis of the P 4S3--03 molecular complex in solid argon with red light produced two sets of new infrared absorptions including terminal PO and symmetric P-S-P stretching modes, which are assigned to structural isomers of P4S30 with terminal oxygen at the apex and base phosphorus positions of P4S3. Further ultraviolet photolysis produced evidence for oxo-bridged P4S30 and a secondary product, P4S30 2.

73. Professor Cristofor I. Simionescu On His 70th Birthday, Otto Vogl, Ioan I. Negulescu

Otto Vogl

No abstract provided.

Organic And Polymeric Nonlinear Optical Materials, Otto Vogl, Donald R. Ulrich

Otto Vogl

No abstract provided.

Polymer Science In Hungary, Part Iii. The Industrial Research Institutes And Their Factories, Otto Vogl, Gyula Hardy, Sandor Doubravsky, Margit Iring, Ferenc Tudos

Otto Vogl

No abstract provided.

Elastic Magnetic Electron Scattering From 'Ca, H Baghaei, A Cichocki, J B. Flanz, M Frodyma, Y Han, R S. Hicks, R A. Miskimen, Gerald Alvin Peterson, S H. Rokni

Gerald Alvin Peterson

The elastic magnetic form factor of 41Ca has been determined by 180° electron scattering in the momentum-transfer range 0.9–2.0 fm-1. An analysis of the data indicates that the amplitudes of the M3 and M5 multipoles are quenched by factors of 0.57±0.16 and 0.68±0.07 relative to the simple shell model. In contrast, the magnitude of the M7 form factor is in good accord with this model. Calculations that include multiparticle-multihole configurations in the 1f7/2 and 1d3/2 subshells, first-order core polarization to higher excited orbitals, and meson exchange currents give reasonable agreement with the data for all multipoles. The rms radius of …

A Small Area Simulation Approach To Determining Variation In Dental Procedure Rates, Paula Diehr

Paula Diehr

All small area analyses need to compare the observed variability in rates to that expected by chance alone, but the expected variability is usually not known. This paper uses patient-level data for five dental procedures to simulate the distributions of the summary statistics that are usually generated in such studies. These statistics are found to vary greatly even under the "null hypothesis" that all dentists are using procedures at the same rates. The simulated dentist rates are compared to observed rates obtained in a different study. These findings illustrate problems that can occur in small area analysis studies, and emphasize …

Use Of A Preferred Provider Plan By Employees Of The City Of Seattle, Paula Diehr

Paula Diehr

Little is known about the use of services in a preferred provider organization (PPO). We studied a preferred provider arrangement between Pacific Medical Center and employees of the City of Seattle. In the second 12 months of this program 8,529 subjects submitted at least one claim; of these, only 420 (4.9%) ever used the preferred provider. Those who used the PPO at least once differed significantly from those who never used it on age, sex, employee/dependent status, and utilization in the previous year. Outpatient and total charges were higher for PPO users than for nonusers before and after control for …

9th International Symposium On Cationic Polymerization And Related Ionic Processes, Otto Vogl

Otto Vogl

No abstract provided.

Polymer Science In Hungary, Part Ii. The Universities In Hungary, Otto Vogl, Jozef Varga, Margit Iring, Ferenc Tudos

Otto Vogl

No abstract provided.

74. Professor Cristofor I. Simionescu On His 70th Birthday, Otto Vogl, Ioan I. Negulescu

Otto Vogl

No abstract provided.

Https://Supplementoffer.Info/Keto-Plus-Germany/, Icky Eidt

icky eidt

Structure And Stability Of Hexacoordinated Sila Dianions, Mark S. Gordon, Marshall T. Carroll, Larry P. Davis, Larry W. Burggraf

Mark S. Gordon

The structures and stabilities of hexacoordinated silicon-containing dianions SiX6 2- have been investigated by using both ab initio (X= H, F) and semiempirical AMI (X= H, F, OH, Me, Cl) calculations. Both methods predict the hexacoordinated structures to be minima on the potential energy surfaces, although the semiempirical barriers for the reactions SiX6 2- -+ Six5- + x- appear to be rather overestimated based on the ab initio results for X = H, F. The positive charge on the central silicon atom actually increases as the number of ligands increases, and the role of d orbitals on that atom appears …

Polymer Science In Hungary. Part I. The Institutes Of The Hungarian Academy Of Sciences, Otto Vogl, Ferenc Tudos, Margit Iring

Otto Vogl

No abstract provided.

First Pacific Polymer Conference, Jane C. Vogl, Gerald Kirshenbaum

Otto Vogl

No abstract provided.

Words As Battle Cries: Symbiogenesis And The New Field Of Endocytobiology, Lynn Margulis

Lynn Margulis (1938 - 2011)

No abstract provided.

Stress And Educational Administration: Variations In Stress Factors Across Administrative Levels, Cynthia R. Frick, John Fraas

John W. Fraas

No abstract provided.

Kindergarten Screening Test: Does It Predict Academic Achievement, John Fraas, D Scott Aronholt, Bettilu Fraas

John W. Fraas

No abstract provided.

Theory Of Compositional And Magnetic Correlations In Alloys: Interpretation Of A Diffuse Neutron-Scattering Experiment On An Iron-Vanadium Single Crystal, J. B. Staunton, Duane D. Johnson, F. J. Pinski

Duane D. Johnson

We describe a first-principles theory for compositional and magnetic correlations in alloys and compare the results of the theory with recent diffuse, unpolarized, neutron-scattering measurements on a single crystal of ferromagnetic Fe0.865V0.135. The nuclear cross section is described very well by the theory and we are able to connect the q-dependent structure to the underlying electronic structure of the alloy. The magnetocompositional and magnetic correlations also may be obtained for comparison to polarized measurements.

Theoretical Study Of Pseudorotation Of Pentacoordinated Silicon Anions: The Prototypical Sih5-, Mark S. Gordon, Theresa L. Windus, Larry W. Burggraf, Larry P. Davis

Mark S. Gordon

Ab initio and semiempirical calculations are used to analyze the minimum energy path for the pseudorotation of SiH5-. Both AMI and MP2/6-31++G(d,p) predict pseudorotation barriers of 2.4 kcal/mol. A decomposition of the projected vibrational frequencies along the path is used to assist in the interpretation of the process.

Predicted Enthalpies Of Formation For Silaethylene, Disilene, And Their Silylene Isomers, Jerry A. Boatz, Mark S. Gordon

Mark S. Gordon

Enthalpies of formation of silaethylene (SiH2=CH2), methylsilylene (HSiCH3), disilene (SiH2=SiH2), and silylsilylene (HSiSiH3) are predicted by using the recently developed GAUSSIAN-! method for computing accurate molecular energies. The predicted enthalpies of formation of the silylenes are compared with enthalpies of formation determined from isodesmic reactions. Very good agreement is found between these two methods and improved values for the enthalpies of formation of silaethylene and disilene are suggested.

Second Euro-American Conference In Oxford On “Functional Polymers And Biopolymers”, Otto Vogl, Jane C. Vogl

Otto Vogl

No abstract provided.

Theoretical Studies Of The Metallacyclopropenes C-[Mx2c2h2] (M = C, Sl, Ge, Sn; X = H, F), Jerry A. Boatz, Mark S. Gordon, Lawrence R. Sita

Mark S. Gordon

The geometries of the metallacyclopropenes c-[MX 2C2H2] (M = C, Si, Ge, Sn; X= H, F) are predicted by using the 3-21G(d) basis set and SCF wave functions. The nature of the ring bonding is investigated via analysis of the total electron density and is found to have little or no 11'-complex character. As a further probe of the electronic structure, bent bond lengths and intrinsic vibrational frequencies are computed. The classical barrier heights and the thermodynamics of the reaction MX 2 + HC==CH-- c-[MX 2C2H2] are predicted by using MP2/3-21G(d) energies.

Thermal Decomposition Processes For Sllanol, Mark S. Gordon, Lisa A. Pederson

Mark S. Gordon

Six alternative decomposition modes of silanol are examined with ab initio electronic structure theory. Geometries determined at the MP2/6-31 G( d,p) level of computation and single-point energetics obtained with MP4/MC-311 G{d,p) wave functions predict that the I, 1- and I ,2-eliminations of molecular hydrogen are both thermodynamically and kinetically competitive, with all other processes requiring at least 10 kcaljmol more energy to occur. At the highest level of theory, silanone is predicted to be 2.7 kcaljmollower in energy than hydroxysilylene.

Remarks On Tensor Operators, Daniel Flath

Daniel Flath

No abstract provided.

Transverse Electrodisintegration Of The Deuteron In The Threshold Region At High Q2,", R G. Arnold, D Benton, P E. Bosted, L Clogher, B Debebe, M B. Frodyma, R S. Hicks, A Hotta, Gerald Alvin Peterson

Gerald Alvin Peterson

Cross sections for 180° deuteron electrodisintegration have been measured near threshold for the Q2 range 1.21 to 2.77 (GeV/c)2. The data are compared to several nonrelativistic meson-nucleon and hybrid quark-hadron models. The data are in strong disagreement with the impulse approximation, indicating the importance of non-nucleonic degrees of freedom. None of the models are in good agreement with the data at all values of Q2. The ratio W1/W2 of inelastic structure functions has been extracted using previous forward angle data and is found to decrease strongly near threshold, also indicating the importance of interaction effects.

Measurements Of The Deuteron And Proton Magnetic Form Factors At Large Momentum Transfers, P E. Bosted, A T. Katramatou, R G. Arnold, D Benton, L Clogher, G De Chambrier, J Lambert, A Lung, G G. Petratos, A Rahbar, S E. Rock, Z M. Szalata, B Debebe, M Frodyma, R S. Hicks, A Hotta, Gerald Alvin Peterson, R A. Gearhart, J Alster, J Lichtenstadt, F Dietrich, K Van Bibber

Gerald Alvin Peterson

Measurements of the deuteron elastic magnetic structure function B(Q') are reported at squared four-momentum transfer values 1.20~ Qi ~ 2.77 (GeV/c)'. Also reported are values for the proton magnetic form factor Gstr(Q2) at 11 Q values between 0.49 and 1.75 (GeV/c) . The data were obtained using an electron beam of 0.5 to 1.3 GeV. Electrons backscattered near 180' were detected in coincidence with deuterons or protons recoiling near 0 in a large solid-angle double-arm spectrometer system. The data for B(Q ) are found to decrease rapidly from Q =1.2 to 2 (GeV/c), and then rise to a secondary maximum …

Total-Energy And Pressure Calculations For Random Substitutional Alloys, Duane D. Johnson, D. M. Nicholson, F. J. Pinski, B. L. Györffy, G. M. Stocks

Duane D. Johnson

We present the details and the derivation of density-functional-based expressions for the total energy and pressure for random substitutional alloys (RSA) using the Korringa-Kohn-Rostoker Green’s-function approach in combination with the coherent-potential approximation (CPA) to treat the configurational averaging. This includes algebraic cancellation of various electronic core contributions to the total energy and pressure, as in ordered-solid muffin-tin-potential calculations. Thus, within the CPA, total-energy and pressure calculations for RSA have the same foundation and have been found to have the same accuracy as those obtained in similar calculations for ordered solids. Results of our calculations for the impurity formation energy, and …

Predicted Enthalpies Of Formation For Methyl-Substituted Disilanes, Jerry A. Boatz, Mark S. Gordon

Mark S. Gordon

Entha1pies of formation of the entire series of methyl-substituted disilanes, Si2(CH3)kH6_k (k = 1-6), are predicted by using homodesmic reactions at the MP2/6-31G(d)/ /RHF /3-21G* level of theory. The calculated values are systematically higher than the values suggested by Walsh but are in excellent agreement with the kinetic data of O'Neal, Ring, and co-workers.

Calculated Oscillator Strengths Between Vibrational Levels Of The Rotational And Trans-Bending Modes In The Ground And Lowest Excited States Of Disilene, Shiro Koseki, Mark S. Gordon

Mark S. Gordon

Starting from the D2h structures of disilene and ethylene, the potential energy surfaces of the ground and excited singlet ( π → π) states along the rotational coordinate (au) and the trans-bending coordinate (b28) and the transition moments between these two states are calculated by using the multiconfigurational self-consistent-field (MCSCF) method with the 3-21G(d) basis set. Based on these results, the vibrational wave functions of these two states are expanded in Fourier series, and the Franck-Condon factors and the oscillator strengths are calculated between the vibrational levels of these two states. Though the transition moments are not constants along these …

General Relativity Is Dead, Milan Meszaros

Milan Meszaros physicist

The intent of the present study is to analize standard cosmology in an immanent mathematical-critical way. First of all, the fundamental statements of this cosmological model will be investigated themselves as well as their relevation to the theory. Further aims are to reveal the interdependence of different physical disciplines, confrontation of various observations, to elucidate the correlations between observed data and theory and, finally, to analyze this cosmology from the point of view of self-consistency.

The study discusses the status of the standard modell.