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- History of Polymer Science (7)
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- Positive residues involved in the voltage-gating of the mitochondrial porin-channel are localized in the external moiety of the pore (2)
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Articles 1 - 30 of 33
Full-Text Articles in Physical Sciences and Mathematics
Matrix-Infrared Spectra Of Structural Isomers Of The Phosphorus Oxysulfide P4s3o, Zofia Mielke, Lester Andrews, Kiet A. Nguyen, Mark S. Gordon
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
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
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
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.
Hplc Analysis Of Amino Acid-Derived Chloramines, Thomas Goyne, Tracy Inskeep, Heather Greenleaf
Hplc Analysis Of Amino Acid-Derived Chloramines, Thomas Goyne, Tracy Inskeep, Heather Greenleaf
Thomas Goyne
No abstract provided.
9th International Symposium On Cationic Polymerization And Related Ionic Processes, Otto Vogl
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
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
74. Professor Cristofor I. Simionescu On His 70th Birthday, Otto Vogl, Ioan I. Negulescu
Otto Vogl
No abstract provided.
Nitrogenase Substrates As Intercluster Bridging Units Between The Molybdenum Atoms In Doubly Bridged, Double Cubanes. The Synthesis And Characterization Of The [Mofe3s4cl2(Cl4cat)]2(.Mu.2-S)(.Mu.2-L)]N- Anions (L = N2h4, N = 4; L = Cn-, N = 5), Paul Challen, Sang Koo, C. Kim, W. Dunham, D. Coucouvanis
Nitrogenase Substrates As Intercluster Bridging Units Between The Molybdenum Atoms In Doubly Bridged, Double Cubanes. The Synthesis And Characterization Of The [Mofe3s4cl2(Cl4cat)]2(.Mu.2-S)(.Mu.2-L)]N- Anions (L = N2h4, N = 4; L = Cn-, N = 5), Paul Challen, Sang Koo, C. Kim, W. Dunham, D. Coucouvanis
Paul R. Challen
No abstract provided.
Structure And Stability Of Hexacoordinated Sila Dianions, Mark S. Gordon, Marshall T. Carroll, Larry P. Davis, Larry W. Burggraf
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
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
First Pacific Polymer Conference, Jane C. Vogl, Gerald Kirshenbaum
Otto Vogl
No abstract provided.
Structural And Energetic Evidence For Oxygen-Lithium-Nitrogen Chelation In A Model For Asymmetric Induction., Edward Arnett, Michael Nichols, Andrew Mcphail
Structural And Energetic Evidence For Oxygen-Lithium-Nitrogen Chelation In A Model For Asymmetric Induction., Edward Arnett, Michael Nichols, Andrew Mcphail
Michael A Nichols
No abstract provided.
Theoretical Study Of Pseudorotation Of Pentacoordinated Silicon Anions: The Prototypical Sih5-, Mark S. Gordon, Theresa L. Windus, Larry W. Burggraf, Larry P. Davis
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
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
Second Euro-American Conference In Oxford On “Functional Polymers And Biopolymers”, Otto Vogl, Jane C. Vogl
Otto Vogl
No abstract provided.
Spectroelectrochemical Investigation Of The Double Layer Structure And Properties, Mark Anderson
Spectroelectrochemical Investigation Of The Double Layer Structure And Properties, Mark Anderson
Mark R. Anderson
No abtract is currently available.
Theoretical Studies Of The Metallacyclopropenes C-[Mx2c2h2] (M = C, Sl, Ge, Sn; X = H, F), Jerry A. Boatz, Mark S. Gordon, Lawrence R. Sita
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
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.
Quantitative Determination Of Adsorption Using A Semi-Integral Method, Mark Anderson
Quantitative Determination Of Adsorption Using A Semi-Integral Method, Mark Anderson
Mark R. Anderson
No abstract is currently available.
Predicted Enthalpies Of Formation For Methyl-Substituted Disilanes, Jerry A. Boatz, Mark S. Gordon
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
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 …
New .Mu.2-S2--Coupled, Singly Bridged Double Cubane With The [(Fe4s4cl3)2s]4- Core. The Stepwise Synthesis And Structural Characterization Of (N-Bu4n)2(Ph4p)2[(Fe4s4cl3)2s], Paul Challen, Sang Koo, W. Dunham, D. Coucouvanis
New .Mu.2-S2--Coupled, Singly Bridged Double Cubane With The [(Fe4s4cl3)2s]4- Core. The Stepwise Synthesis And Structural Characterization Of (N-Bu4n)2(Ph4p)2[(Fe4s4cl3)2s], Paul Challen, Sang Koo, W. Dunham, D. Coucouvanis
Paul R. Challen
No abstract provided.
Vibrational Spectroscopic Investigations Of The Electrochemical Interface, Mark Anderson
Vibrational Spectroscopic Investigations Of The Electrochemical Interface, Mark Anderson
Mark R. Anderson
No abstract is available at this time.
Infrared Spectroelectrochemical Measurements Of The Electrochemical Double Layer: Using Carbon Monoxide As A Double Layer Probe Molecule, Andrea Russell, Stanley Pons, Mark Anderson
Infrared Spectroelectrochemical Measurements Of The Electrochemical Double Layer: Using Carbon Monoxide As A Double Layer Probe Molecule, Andrea Russell, Stanley Pons, Mark Anderson
Mark R. Anderson
The utility of infrared spectroelectrochemical measurements to provide information about the electrochemical interface has been previously demonstrated. The use of small adsorbate molecules as probes of the interface has only recently been investigated. The infrared spectroscopic behavior of adsorbed carbon monoxide in the presence of methanol, ethanol, n-propanol, isopropanol, and ethylene glycol as well as in alcohol/water binary solvent mixtures is presented. Changes in the Stark tuning rate for the adsorbed CO are correlated with solvent dipole reorganization in methanol, ethanol, and n-propanol. No change was observed for ethylene glycol or isopropanol. For the binary mixtures, a dramatic change in …
Structure-Energy Relations For The Aldol Reaction In Nonpolar Media., Edward Arnett, Franklin Fisher, Michael Nichols, Anthony Ribeiro
Structure-Energy Relations For The Aldol Reaction In Nonpolar Media., Edward Arnett, Franklin Fisher, Michael Nichols, Anthony Ribeiro
Michael A Nichols
No abstract provided.
Vibrational Spectroscopic Investigations Of The Electrochemical Interface, Mark Anderson
Vibrational Spectroscopic Investigations Of The Electrochemical Interface, Mark Anderson
Mark R. Anderson
No abstract is available at this time.
Positive Residues Involved In The Voltage-Gating Of The Mitochondrial Porin-Channel Are Localized In The External Moiety Of The Pore, Philadelphia University
Positive Residues Involved In The Voltage-Gating Of The Mitochondrial Porin-Channel Are Localized In The External Moiety Of The Pore, Philadelphia University
Philadelphia University, Jordan
No abstract provided.
Coincidence Orientations Of Crystals In Tetragonal Systems, With Applications To Yba2cu3o7, Abha Singh, N. Chandrasekhar, Alexander H. King
Coincidence Orientations Of Crystals In Tetragonal Systems, With Applications To Yba2cu3o7, Abha Singh, N. Chandrasekhar, Alexander H. King
Alexander H. King
We have developed a method for the characterization of coincidence-site lattices (CSL's) in tetragonal or near-tetragonal orthorhombic structures, by suitable modifications to the method of Grimmer & Warrington [Acta Cryst. (1987), A43, 232-243]. We have applied our method to determine coincidence rotations and the associated information appropriate for forming constrained CSL's in the high-To superconductor YBazCu307-n. The unit cell is orthorhombic with lattice parameters a = 3.82, b = 3"89 and c = 11.67 A for the nominal composition. We present tables of coincidence rotation angles, .Z, CSL, DSCL and associated step vectors up to ,~ = 50. We find …
Hyperfine Structure Of The Mnh X 7-Sigma(+) State: A Large Gas-To-Matrix Shift In The Fermi Contact Interaction, Thomas Varberg, R. Field, A. Merer
Hyperfine Structure Of The Mnh X 7-Sigma(+) State: A Large Gas-To-Matrix Shift In The Fermi Contact Interaction, Thomas Varberg, R. Field, A. Merer
Thomas D. Varberg
No abstract provided.