Search Results - "POPLE, JOHN A."

Dynamics of Magnetic Alignment in Rod–Coil Block Copolymers by McCulloch, Bryan, Portale, Giuseppe, Bras, Wim, Pople, John A, Hexemer, Alexander, Segalman, Rachel A

“…The dynamics associated with magnetic field alignment of a model rod–coil block copolymer poly(2,5-di(2′-ethylhexyloxy)-1,4-phenylenevinylene)-b-polyisoprene…”
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Effect of Nonsolvent Exposure on Morphology of Mesoporous Semicrystalline Block Copolymer Films by Wong, David T, Wang, Cheng, Pople, John A, Balsara, Nitash P

“…Polystyrene-block-polyethylene-block-polystyrene (SES) copolymers were blended with homopolymer polystyrene (PS), and films of the blend were solvent cast…”
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Structure of pH-Dependent Block Copolymer Micelles:  Charge and Ionic Strength Dependence by Lee, Albert S, Bütün, Vural, Vamvakaki, M, Armes, Steven P, Pople, John A, Gast, Alice P

“…We characterize the structures of various polyelectrolyte block copolymer micelles in dilute aqueous solution as a function of pH and ionic strength. The block…”
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In Situ Tracking of Microstructure Spacing and Ordered Domain Compression during the Drying of Solution-Cast Block Copolymer Films Using Small-Angle X-ray Scattering by Heinzer, Michael J, Han, Sangil, Pople, John A, Baird, Donald G, Martin, Stephen M

“…Changes in the spacing of hexagonally packed cylinders in a poly(styrene-b-butadiene) copolymer film during the continual extraction of toluene under different…”
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Study on Synthesis of TPA-Silicalite-1 from Initially Clear Solutions of Various Base Concentrations by in Situ Calorimetry, Potentiometry, and SAXS by Yang, Sanyuan, Navrotsky, Alexandra, Wesolowski, David J, Pople, John A

“…The synthesis process of TPA-silicalite-1 from a series of initially clear solutions (with a general formula based on mole ratios of the components…”
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In Situ Measurement of Block Copolymer Ordering Kinetics during the Drying of Solution-Cast Films Using Small-Angle X-ray Scattering by Heinzer, Michael J, Han, Sangil, Pople, John A, Baird, Donald G, Martin, Stephen M

“…The ordering of a poly(styrene-b-butadiene) block copolymer solution into hexagonally packed cylinders during the extraction of a neutral solvent from a…”
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Tunable nanoporous membranes with chemically-tailored pore walls from triblock polymer templates by Mulvenna, Ryan A., Weidman, Jacob L., Jing, Benxin, Pople, John A., Zhu, Yingxi, Boudouris, Bryan W., Phillip, William A.

“…Membranes derived from self-assembled block polymers have shown promise as highly selective and highly permeable filters, but the complex synthetic routes and…”
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Effect of Cross-Linking on the Structure and Thermodynamics of Lamellar Block Copolymers by Gomez, Enrique D, Das, Jayajit, Chakraborty, Arup K, Pople, John A, Balsara, Nitash P

“…Small-angle X-ray scattering, depolarized light scattering, and transmission electron microscopy were used to study the dependence of structure and…”
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6-31G basis set for third-row atoms by Rassolov, Vitaly A., Ratner, Mark A., Pople, John A., Redfern, Paul C., Curtiss, Larry A.

“…Medium basis sets based upon contractions of Gaussian primitives are developed for the third‐row elements Ga through Kr. The basis functions generalize the…”
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Counterion Condensation in Nafion by Beers, Keith M, Hallinan, Daniel T, Wang, Xin, Pople, John A, Balsara, Nitash P

“…Nafion(117) membranes in contact with acidic solutions were characterized by small-angle X-ray scattering and by acid solution uptake measurements. The…”
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Morphology and Thermodynamic Properties of a Copolymer with an Electronically Conducting Block: Poly(3-ethylhexylthiophene)-block-poly(ethylene oxide) by Patel, Shrayesh N, Javier, Anna E, Beers, Keith M, Pople, John A, Ho, Victor, Segalman, Rachel A, Balsara, Nitash P

“…We report on the synthesis and morphology of a block copolymer, poly(3-(2′-ethylhexyl)thiophene)-b-poly(ethylene oxide) (P3EHT-b-PEO), that conducts both…”
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Impact of Core Architecture on Solution Properties of Dendrimer-like Star Copolymers by Stancik, Cheryl M, Pople, John A, Trollsås, Mikael, Lindner, Peter, Hedrick, James L, Gast, Alice P

“…We present a small-angle neutron scattering study of a series of isomeric dendrimer-like star copolymers investigated in solution. Each copolymer consists of a…”
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Theoretical study of blocked glycine and alanine peptide analogs by Head-Gordon, Teresa, Head-Gordon, Martin, Frisch, Michael J, Brooks, Charles L, Pople, John A

“…We present a high-level ab initio study of the model blocked alanine and glycine dipeptide molecules, (S)- alpha -(formylamino)propanamide and alpha…”
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Effect of Crystallization on Proton Transport in Model Polymer Electrolyte Membranes by Beers, Keith M, Wong, David T, Jackson, Andrew J, Wang, Xin, Pople, John A, Hexemer, Alexander, Balsara, Nitash P

“…Polymer electrolyte membranes with bicontinuous microphases comprising soft hydrated domains and mechanically robust hydrophobic domains are used in a wide…”
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Dynamic Response of Stereoblock Elastomeric Polypropylene Studied by Rheooptics and X-ray Scattering. 1. Influence of Isotacticity by Wiyatno, Willy, Pople, John A, Gast, Alice P, Waymouth, Robert M, Fuller, Gerald G

“…The dynamic response of elastomeric polypropylene (ePP) prepared by metallocene 2-arylindene hafnium catalyst was investigated by rheooptical birefringence as…”
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Quantum Chemical Models (Nobel Lecture) by Pople, John A.

“…The solving of chemical problems to which the answer is unknown or in dispute is the important objective of each theoretical model. How far quantum chemistry…”
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Toward a systematic molecular orbital theory for excited states by Foresman, James B, Head-Gordon, Martin, Pople, John A, Frisch, Michael J

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Iso-concentration ordering kinetics of block copolymers in solution during solvent extraction using dynamic oscillatory measurements by Heinzer, Michael J., Han, Sangil, Pople, John A., Martin, Stephen M., Baird, Donald G.

“…The iso-concentration ordering kinetics of poly(styrene-b-butadiene) in a neutral solvent, toluene, at several concentrations along the solvent extraction path…”
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Gaussian-3 theory using coupled cluster energies by Curtiss, Larry A, Raghavachari, Krishnan, Redfern, Paul C, Baboul, Anwar G, Pople, John A

“…Variations of Gaussian-3 (G3) theory are presented in which the quadratic configuration interaction (QCISD(T)) energy calculation is replaced by a coupled…”
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Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements by Gordon, Mark S, Binkley, J. Stephen, Pople, John A, Pietro, William J, Hehre, Warren J

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