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- Otto Vogl (9)
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Articles 1 - 30 of 58
Full-Text Articles in Entire DC Network
Renormalization Of The Energy-Momentum Tensor And The Validity Of The Equivalence Principle At Finite Temperature, Jf Donoghue, Br Holstein, Rw Robinett
Renormalization Of The Energy-Momentum Tensor And The Validity Of The Equivalence Principle At Finite Temperature, Jf Donoghue, Br Holstein, Rw Robinett
Barry R Holstein
Using the techniques of finite-temperature field theory we renormalize the electromagnetic and gravitational couplings of an electron which is immersed in a heat bath with T
Polymer Science And Technology In Universities In Sweden, Otto Vogl, Bengt Ranby
Polymer Science And Technology In Universities In Sweden, Otto Vogl, Bengt Ranby
Otto Vogl
No abstract provided.
Second S.R. Romania-U.S.A. Seminar On Polymer Science, Otto Vogl, Viorica Dobrescu
Second S.R. Romania-U.S.A. Seminar On Polymer Science, Otto Vogl, Viorica Dobrescu
Otto Vogl
No abstract provided.
Fast Method For Calculating The Self-Consistent Electronic Structure Of Random Alloys, Duane D. Johnson, F. J. Pinski, G. M. Stocks
Fast Method For Calculating The Self-Consistent Electronic Structure Of Random Alloys, Duane D. Johnson, F. J. Pinski, G. M. Stocks
Duane D. Johnson
We describe a computationally efficient method for performing self-consistent-field calculations of the electronic structure of random solid-solution alloys within the multiple-scattering coherent-potential-approximation formalism (KKR-CPA). We utilize a cluster method for solving the KKR-CPA equations and integrate along a contour in the complex-energy plane to reconstruct the single-site electronic densities.
Iupac 6th International Symposium On Cationic Polymerization And Related Processes, Otto Vogl, Etienne Schacht
Iupac 6th International Symposium On Cationic Polymerization And Related Processes, Otto Vogl, Etienne Schacht
Otto Vogl
No abstract provided.
Polymer Science In Academy Institutes In Northern China (North Of The Yangtze): Part Ii: Changchun, Otto Vogl, B. Huang
Polymer Science In Academy Institutes In Northern China (North Of The Yangtze): Part Ii: Changchun, Otto Vogl, B. Huang
Otto Vogl
No abstract provided.
Theology In A Digital World, David Morgan Lochhead
Theology In A Digital World, David Morgan Lochhead
Dr. David Morgan Lochhead
Speech at David Lochhead's promotion to Full Professor of Thelogy.
Theoretical Study Of Silylene Insertion Into N-H, O-H, F-H, P-H, S-H, And Cl-H Bonds, Krishnan Raghavachari, Jayaraman Chandrasekhar, Mark S. Gordon, Ken Dykema
Theoretical Study Of Silylene Insertion Into N-H, O-H, F-H, P-H, S-H, And Cl-H Bonds, Krishnan Raghavachari, Jayaraman Chandrasekhar, Mark S. Gordon, Ken Dykema
Mark S. Gordon
The potential energy surfaces for the insertion reactions of silylene into NH3, Hp, HF, PH3, H2S, and HCl have been characterized in detail by using ab initio molecular orbital theory, including electron correlation and zero-point corrections. All the interactions involve the initial formation of a donor-acceptor complex followed by a proton shift via an unsymmetrical high-energy transition state. The binding energies of the complexes as well as the rearrangement barriers for the hydrogen migration of these complexes to give the normal valent compounds have been calculated in all cases. The complex between SiH2 and NH3 exists in a deep minimum …
Polymer Science And Engineering In Academy Institutes In The Northern Part Of The People's Republic Of China (North Of The Yangtze): Part I: Beijing", Otto Vogl, L. Shi
Polymer Science And Engineering In Academy Institutes In The Northern Part Of The People's Republic Of China (North Of The Yangtze): Part I: Beijing", Otto Vogl, L. Shi
Otto Vogl
No abstract provided.
Ab Initio Study Of The Insertions Of Methylene And Silylene Into Methane, Silane, And Hydrogen, Mark S. Gordon, David R. Gano
Ab Initio Study Of The Insertions Of Methylene And Silylene Into Methane, Silane, And Hydrogen, Mark S. Gordon, David R. Gano
Mark S. Gordon
The transition states for several insertion reactions have been determined at the 3-21G level of theory. While the insertions of CH2 and SiH2 into the CH and SiH bonds of methane and silane, respectively, all have nonzero SCF barriers, only the insertion of silylene into methane retains a nonzero barrier when third-order Moller-Plesset perturbation theory corrections are included with the 6-31G* basis set. The intrinsic reaction coordinates for the carbene and silylene insertions into methane are used to provide a pictorial view of these reactions and to relate the calculations to earlier studies. The insertion of silylene into H2 is …
Polymer Science And Engineering In The Southern Part Of The People's Republic Of China (South Of The Yangtze): Part I: “Shanghai Area", Otto Vogl, T. Yu, B. Qian, S. J. Li
Polymer Science And Engineering In The Southern Part Of The People's Republic Of China (South Of The Yangtze): Part I: “Shanghai Area", Otto Vogl, T. Yu, B. Qian, S. J. Li
Otto Vogl
No abstract provided.
Comment On Aproaches To The Tricritical Point In Quasibinary Liquid Mixtures, Miron Kaufman, Robert B. Griffiths
Comment On Aproaches To The Tricritical Point In Quasibinary Liquid Mixtures, Miron Kaufman, Robert B. Griffiths
Miron Kaufman
No abstract provided.
Factors Explaining The Use Of Health Care Services By The Elderly, Paula Diehr, Connie Evashwick
Factors Explaining The Use Of Health Care Services By The Elderly, Paula Diehr, Connie Evashwick
Paula Diehr
The Anderson model of health services utilization, which relates use of service to predisposing, enabling, and need factors, has not often been applied to an elderly population. In this study, the factors of the Andersen model were used prospectively to predict utilization for a population sample of 1,317 elderly persons. Taken alone, the NEED construct was the most important single predictor of use of physician services, hospitalizations, ambulatory care, and home care. PREDISPOSING factors were better predictors of the use of dental services. Some of the variables studied were not related to utilization in the direction that would have been …
Centers Of Polymer Research; Polymer Science And Engineering In Academy Institutes In The Southern Part Of The People's Republic Of China (South Of The Yangtze), Otto Vogl, W. Huang, Z. Ye, Z. Zhang, M. Cao
Centers Of Polymer Research; Polymer Science And Engineering In Academy Institutes In The Southern Part Of The People's Republic Of China (South Of The Yangtze), Otto Vogl, W. Huang, Z. Ye, Z. Zhang, M. Cao
Otto Vogl
No abstract provided.
Pseudodimensional Variation And Tricriticality Of Potts Models By Hierarchical Breaking Of Translational Invariance, Miron Kaufman, Mehran Kardar
Pseudodimensional Variation And Tricriticality Of Potts Models By Hierarchical Breaking Of Translational Invariance, Miron Kaufman, Mehran Kardar
Miron Kaufman
Potts models with equivalent- and nearest-neighbor interactions are solved exactly on Cayley trees. A parameter D is identified that plays a role similar to the spatial dimension on Bravais lattices. Breaking translational symmetry by the Cayley-tree hierarchy reduces D, leading to a changeover in the order of the phase transition via a novel tricritical point.
Ab Initio Studies Of Hxypo And Xypoh Molecules, Mark S. Gordon, Jerry A. Boatz, Michael W. Schmidt
Ab Initio Studies Of Hxypo And Xypoh Molecules, Mark S. Gordon, Jerry A. Boatz, Michael W. Schmidt
Mark S. Gordon
Molecular orbital calculations have been carried out on a sequence of HXYPOH molecules, with X and Y = H, CH3, NH2, OH, OCH3, and F. The molecular structures are predicted with the ST0-2G* basis set. For the prediction of energies of isomerization to XYPOH species, single-point 3-21G* and 6-31G* calculations were used. The molecular dissociation energies of HXYPO to HPO + XY and to XPO + HY were calculated by augmenting the latter two basis sets with MP2 and MP3 perturbation corrections.
Hydrogen Abstractions By Triplet Methylene And Silylene, Mark S. Gordon
Hydrogen Abstractions By Triplet Methylene And Silylene, Mark S. Gordon
Mark S. Gordon
While the most common reactions of singlet methylenes are insertions into Y -H or multiple bonds, 1-3 triplet methylenes tend to abstract hydrogens from Y -H bonds. 1·2 Singlet silylenes are also known to insert,4-6 while little is known about the corresponding triplets. Several theoretical papers have been devoted to analyses of the insertions of singlet CH/-12 and SiHP-15 into a variety of bonds and the abstractions of hydrogen from H216-20 and CH417 by triplet methylene. Ab initio calculations including correlation predict that carbenes insert into Y-H9•11 ·12·15 bonds with no barrier, in agreement with the prevailing experimental evidence;1·2 however, …
Centers Of Polymer Research; Polymer Science In Czechoslovakia, Slovakia Ii: Universities And Research Institutes, Otto Vogl, E. Borsig, J. Beniska
Centers Of Polymer Research; Polymer Science In Czechoslovakia, Slovakia Ii: Universities And Research Institutes, Otto Vogl, E. Borsig, J. Beniska
Otto Vogl
No abstract provided.
Spin Systems On Hierarchical Lattices. Ii. Some Examples Of Soluble Models, Miron Kaufman, Robert B. Griffiths
Spin Systems On Hierarchical Lattices. Ii. Some Examples Of Soluble Models, Miron Kaufman, Robert B. Griffiths
Miron Kaufman
Several examples are given of soluble models of phase-transition phenomena utilizing classical discrete spin systems with nearest-neighbor interaction on hierarchical lattices. These include critical exponents which depend continuously on a parameter, the Potts model on a lattice with two different coupling constants, surface tension, and excess free energy of a line of defects. In each case we point out similarities and differences with a corresponding Bravais-lattice model.
Duality And Potts Critical Amplitudes On A Class Of Hierarchical Lattices, Miron Kaufman
Duality And Potts Critical Amplitudes On A Class Of Hierarchical Lattices, Miron Kaufman
Miron Kaufman
By using the duality transformation on a class of hierarchical lattices, I show that the Potts critical amplitudes above and below the critical temperature are equal. Logarithmic modifications of the power-law singularity occur when the exponent 2—alpha is an even integer, but do not occur when 2—alpha equals an odd integer.
Guage Invariant De Gennes Model, Anthony Day, T. Lubensky
Guage Invariant De Gennes Model, Anthony Day, T. Lubensky
Anthony Roy Day
A gauge-invariant formulation of the de Gennes model for the nematic—to—smectic-A transition is presented. In this formulation the energy associated with the gauge field A⃗ reduces to the Frank elastic energy with the application of the constraint n⃗0·A⃗=0 where n⃗0 is the uniform equilibrium director and A⃗ is to be identified with deviations δn⃗ of the director from equilibrium. It is shown that thermodynamic quantities and renormalization-group recursion relations are gauge invariant. All gauge dependence appears in the exponent η describing order-parameter correlations. The gauge invariance of a negative dielectric anisotropy smectic-A in an external electric field is also studied.
Centers Of Polymer Research; Polymer Science In Czechoslovakia: Slovakia I: Polymer Institute, Slovak Academy Of Sciences, Bratislava, Otto Vogl, A. Romanov, E. Borsig
Centers Of Polymer Research; Polymer Science In Czechoslovakia: Slovakia I: Polymer Institute, Slovak Academy Of Sciences, Bratislava, Otto Vogl, A. Romanov, E. Borsig
Otto Vogl
No abstract provided.
Short-Range And Infinite-Range Bond Percolation, Miron Kaufman, Mehran Kardar
Short-Range And Infinite-Range Bond Percolation, Miron Kaufman, Mehran Kardar
Miron Kaufman
A method for generalizing bond-percolation problems to include the possibility of infinite-range (equivalent-neighbor) bonds is presented. On Bravais lattices the crossover from nonclassical to classical (mean-field) percolation criticality in the presence of such bonds is described. The Cayley tree with nearest-neighbor and equivalent-neighbor bonds is solved exactly, and a nonuniversal line of percolation transitions with exponents dependent on nearest-neighbor bond occupation probability is observed. Points of logarithmic and exponential singularity are also encountered, and the behavior is interpreted as dimensional reduction due to the breaking of translational invariance by bonds of Cayley-tree connectivity.
Theoretical Studies Of Cyclic C2si2h4 Molecules, Thomas A. Holme, Mark S. Gordon, Satoshi Yabushita, Michael W. Schmidt
Theoretical Studies Of Cyclic C2si2h4 Molecules, Thomas A. Holme, Mark S. Gordon, Satoshi Yabushita, Michael W. Schmidt
Mark S. Gordon
Thirteen cyclic C2Si2H4 isomers, including disilatetrahedrane and the disilacyclobutadienes, have been studied by using ab initio quantum mechanics. At the MP3/6-31G* / /3-21G level of computation, the silyl-substituted silacyclopropenylidene is found to be the most stable. Disilatetrahedrane is quite high on the energy surface, and the two possible planar 1,2-disilacyclobutadienes do not represent minima on this surface. Planar 1,3-disilacyclobutadiene is a stable structure and exhibits significant diradical character.
Critical Amplitude Of The Potts Model: Zeroes And Divergences, Miron Kaufman, David Andelman
Critical Amplitude Of The Potts Model: Zeroes And Divergences, Miron Kaufman, David Andelman
Miron Kaufman
The critical amplitude of the q-state Potts-model free energy is studied as a function of q in two dimensions and on the diamond hierarchical lattice. The amplitude diverges at an infinite number of q values, qn,introducing logarithmic terms in the free energy. We expect that in each interval (qn,qn+1) there is a q value where the amplitude vanishes, affecting the singularity of the free energy as a function of temperature. Possible consequences for gelation and vulcanization of polymers are discussed.
Small Area Statistics: Large Statistical Problems, Paula Diehr
Small Area Statistics: Large Statistical Problems, Paula Diehr
Paula Diehr
No abstract provided.
Theoretical Studies Of Polyvinyl-Substituted Carbenium And Silylenium Ions, Thanh Truong, Mark S. Gordon, Philip Boudjouk
Theoretical Studies Of Polyvinyl-Substituted Carbenium And Silylenium Ions, Thanh Truong, Mark S. Gordon, Philip Boudjouk
Mark S. Gordon
Ab initio (ST0-2G and 3-21G) calculations have been performed to analyze the ability of one, two, and three vinyl groups to stabilize the CH3 + and SiH3 + ions. Vinyl groups appear to be quite effective at stabilizing the positive charge on the silylenium ion, and successive vinylization preferentially stabilizes the silicon relative to the carbon ion.
Comment On Criticality Of The Anisotropic Quantum Heisenberg Model On A Self-Dual Hierarchical Lattice, Miron Kaufman, Mehran Kardar
Comment On Criticality Of The Anisotropic Quantum Heisenberg Model On A Self-Dual Hierarchical Lattice, Miron Kaufman, Mehran Kardar
Miron Kaufman
No abstract provided.
Theoretical Study Of Methylsilanone And Five Of Its Isomers, Mark S. Gordon, Clayton George
Theoretical Study Of Methylsilanone And Five Of Its Isomers, Mark S. Gordon, Clayton George
Mark S. Gordon
By use of 3-21G SCF geometries and relative energies from MP3/6-31G* wave functions, methylsilanone has been found to be the most stable of the six isomers investigated. The relative stabilities of methylsilanone and silylformaldehyde are rationalized by the metathesis reaction H 2Si0 + C2H4 .... H 2CO + H 2CSiH4. This reaction is used to suggest that the C=O bond is about 10 kcaljmol stronger than Si=O.
Structure, Bonding, And Internal Rotation In Phosphine Oxide (H3po), Hydroxyphosphine (H2poh), And Hydroxyfluorophosphine (Hfpoh), Michael W. Schmidt, Satoshi Yabushita, Mark S. Gordon
Structure, Bonding, And Internal Rotation In Phosphine Oxide (H3po), Hydroxyphosphine (H2poh), And Hydroxyfluorophosphine (Hfpoh), Michael W. Schmidt, Satoshi Yabushita, Mark S. Gordon
Mark S. Gordon
The fundamental nature of the PO bond is reexamined by using ab initio (3-21G* and 6-31G*) wave functions and energy-localized orbitals. The bond is best described as a dative single bond augmented by 71' back-donation from the oxygen lone pairs. The isomerization pathway from H3PO to H2POH is followed by using the intrinsic reaction coordinate and localized orbitals. The latter, more stable, isomer has two forms, cis and trans, which are nearly equal in energy. The internal rotation barriers in this molecule and in HFPOH are examined with a Fourier analysis and compared with their nitrogen analogues. The major differences …