Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.113, No.30 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (68 articles)

10051 - 10054	How Photoelectron Spectroscopy and Quantum Chemical Studies Can Help Understanding the Magnetic Properties of Molecules: An Example from the Class of Cu(II)-Bis(oxamato) Complexes Brauer B, Grobosch M, Knupfer M, Weigend F, Vaynzof Y, Kahn A, Ruffer T, Salvan G
10055 - 10058	Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra Ren YL, Ke W, Li YJ, Feng LL, Wan J, Xu X
10059 - 10062	Unravelling the Conformational Dynamics of the Aqueous Alanine Dipeptide with First-Principle Molecular Dynamics Gaigeot MP
10063 - 10067	Evaluating the Role of Additive pK(a) on the Proton Conductivities of Blended Sulfonated Poly(ether ether ketone) Membranes Li W, Norris BC, Snodgrass P, Prasad K, Stockett AS, Pryamitsyn V, Ganesan V, Bielawski CW, Manthiram A
10068 - 10071	Molecular Ordering of Layer-by-Layer Polyelectrolyte Films Studied by Sum-Frequency Vibrational Spectroscopy Silva HS, Miranda PB
10072 - 10076	SAXS and NMR Analysis for the Cast Solvent Effect on sPEEK Membrane Properties Luu DX, Cho EB, Han OH, Kim D
10077 - 10080	Neat Liquid Consisting of Hydrogen-Bonded Tetramers: Dicyclohexylmethanol Suzuki YT, Yamamura Y, Sumita M, Yasuzuka S, Saito K
10081 - 10087	Freezing-Induced Phase Separation and Spatial Microheterogeneity in Protein Solutions Dong JP, Hubel A, Bischof JC, Aksan A
10088 - 10096	Identifying the Origins of Two Secondary Relaxations in Polysaccharides Kaminski K, Kaminska E, Ngai KL, Paluch M, Wlodarczyk P, Kasprzycka A, Szeja W
10097 - 10103	Umbrella Sampling Simulations of Biotin Carboxylase: Is a Structure with an Open ATP Grasp Domain Stable in Solution? Novak BR, Moldovan D, Waldrop GL, de Queiroz MS
10104 - 10111	Use of Inorganic Fullerene-like WS2 to Produce New High-Performance Polyphenylene Sulfide Nanocomposites: Role of the Nanoparticle Concentration Naffakh M, Marco C, Gomez MA, Gomez-Herrero J, Jimenez I
10112 - 10116	Microwave Dielectric Study of an Oligomeric Electrolyte Gelator by Time Domain Reflectometry Kundu SK, Yagihara S, Yoshida M, Shibayama M
10117 - 10120	Self-Assembly of Rod-Shaped Particles in Diblock-Copolymer Templates Tang QY, Ma YQ
10121 - 10127	Structure and Acoustic Properties of Hydrated Nafion Membranes Plazanet M, Bartolini P, Torre R, Petrillo C, Sacchetti F
10128 - 10134	Very Different Responses to Electromagnetic Fields in Binary Ionic Liquid-Water Solutions English NJ, Mooney DA
10135 - 10142	Muon Spin Spectroscopy of the Nematic Liquid Crystal 4-n-Pentyl-4'-cyanobiphenyl (5CB) McKenzie I, Dilger H, Stoykov A, Scheuermann R
10143 - 10148	Refractive Index Control and Rayleigh Scattering Properties of Transparent TiO2 Nanohybrid Polymer Elim HI, Cai B, Kurata Y, Sugihara O, Kaino T, Adschiri T, Chu AL, Kambe N
10149 - 10158	Cucurbit[7]uril Complexes of Crown-Ether Derived Styryl and (Bis)styryl Dyes Fedorova OA, Chernikova EY, Fedorov YV, Gulakova EN, Peregudov AS, Lyssenko KA, Jonusauskas G, Isaacs L
10159 - 10169	Residual Solvent Effects on Free Volume and Performance of Fluorinated Polyimide Membranes: A Molecular Simulation Study Chang KS, Hsiung CC, Lin CC, Tung KL
10170 - 10176	Probing the Molecular Level of Polyimide-Based Solvent Resistant Nanofiltration Membranes with Positron Annihilation Spectroscopy Cano-Odena A, Vandezande P, Hendrix K, Zaman R, Mostafa K, Egger W, Sperr P, De Baerdemaeker J, Vankelecom IFJ
10177 - 10182	Molecular Dynamics Study of a Polymeric Reverse Osmosis Membrane Harder E, Walters DE, Bodnar YD, Faibish RS, Roux B
10183 - 10188	Novel Composite Drug Delivery System for Honokiol Delivery: Self-Assembled Poly(ethylene glycol)-Poly(epsilon-caprolactone)-Poly(ethylene glycol) Micelles in Thermosensitive Poly(ethylene glycol)-Poly(epsilon-caprolactone)-Poly(ethylene glycol) Hydrogel Gong CY, Shi S, Wang XH, Wang YJ, Fu SZ, Dong PW, Chen LJ, Zhao X, Wei YQ, Qian ZY
10189 - 10195	Modifications of Surfactant Distributions and Surface Morphologies in Latex Films Due to Moisture Exposure Xu GH, Dong JP, Severtson SJ, Houtman CJ, Gwin LE
10196 - 10209	Aqueous Phase Behavior of Lipids with Isoprenoid Type Hydrophobic Chains Hato M, Yamashita J, Shiono M
10210 - 10221	Proton Transfer and Proton Concentrations in Protonated Nafion Fuel Cell Membranes Spry DB, Fayer MD
10222 - 10229	Flexibility and Cross-Sectional Structure of an Anionic Dual-Surfactant Wormlike Micelle Explored with Small-Angle X-ray Scattering Coupled with Contrast Variation Technique Naruse K, Eguchi K, Akiba I, Sakurai K, Masunaga H, Ogawa H, Fossey JS
10230 - 10239	Size, Shape, and Charge of Salt-Free Catanionic Microemulsion Droplets: A Small-Angle Neutron Scattering and Modeling Study Silva BFB, Marques EF, Olsson U, Linse P
10240 - 10248	Exploring the Effects of Sterols in Model Lipid Membranes Using Single-Molecule Orientations Livanec PW, Huckabay HA, Dunn RC
10249 - 10254	Supercritical CO2/Ionic Liquid Systems: What Can We Extract from Infrared and Raman Spectra? Andanson JM, Jutz F, Baiker A
10255 - 10260	Absolute Hydration Entropies of Alkali Metal Ions from Molecular Dynamics Simulations Carlsson J, Aqvist J
10261 - 10270	Electrical Conductivity of Aqueous Salt-Free Concentrated Suspensions. Effects of Water Dissociation and CO2 Contamination Carrique F, Ruiz-Reina E
10271 - 10276	Molecular Dynamics and Quantum Chemistry Study on Conformations and Optical Properties of Hydrogen Bonded Dipolar Merocyanine Dyes Zhao K, Tu YQ, Luo Y
10277 - 10284	Interplay between Solvent Effects of Different Nature in Interfacial Bond Breaking Electron Transfer Nazmutdinov RR, Bronshtein MD, Tsirlina GA, Titova NV
10285 - 10291	The Standard Partial Molar Volumes of Ions in Solution. Part 4. Ionic Volumes in Water at 0-100 degrees C Marcus Y
10292 - 10297	Extension of the Transferable Potentials for Phase Equilibria Force Field to Dimethylmethyl Phosphonate, Sarin, and Soman Sokkalingam N, Kamath G, Coscione M, Potoff JJ
10298 - 10307	Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water Jacobson LC, Hujo W, Molinero V
10308 - 10314	Systemic Energy Management by Strategically Located Functional Components within Molecular Frameworks, Determined by Systems Chemistry Mucsi Z, Chass GA, Csizmadia IG
10315 - 10321	First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts Zhu WH, Xiao HM
10322 - 10330	Jump Reorientation of Water Molecules Confined in Narrow Carbon Nanotubes Mukherjee B, Maiti PK, Dasgupta C, Sood AK
10331 - 10338	Quantitative Structure-Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses Lusvardi G, Malavasi G, Tarsitano F, Menabue L, Menziani MC, Pedone A
10339 - 10347	Nanomechanical Characterization of Phospholipid Bilayer Islands on Flat and Porous Substrates: A Force Spectroscopy Study Nussio MR, Oncins G, Ridelis I, Szili E, Shapter JG, Sanz F, Voelcker NH
10348 - 10356	A Statistical Model for Translocation of Structured Polypeptide Chains through Nanopores Ammenti A, Cecconi F, Marconi UMB, Vulpiani A
10357 - 10366	Effects of Various Small-Molecule Anesthetics on Vesicle Fusion: A Study Using Two-Photon Fluorescence Cross-Correlation Spectroscopy Nguyen TT, Swift JL, Burger MC, Cramb DT
10367 - 10379	Electronic Structure of the Quinone Radical Anion A(1)(center dot-) of Photosystem I Investigated by Advanced Pulse EPR and ENDOR Techniques Niklas J, Epel B, Antonkine ML, Sinnecker S, Pandelia ME, Lubitz W
10380 - 10388	Protein NMR Chemical Shift Calculations Based on the Automated Fragmentation QM/MM Approach He X, Wang B, Merz KM
10389 - 10398	Charge Recombination Kinetics and Protein Dynamics in Wild Type and Carotenoid-less Bacterial Reaction Centers: Studies in Trehalose Glasses Francia F, Malferrari M, Sacquin-Mora S, Venturoli G
10399 - 10402	Glycine Canonical and Zwitterionic Isomers within Zeolites Yang G, Zhou LJ, Liu CB
10403 - 10408	Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions Dunbar RC, Hopkinson AC, Oomens J, Siu CK, Siu KWM, Steill JD, Verkerk UH, Zhao JF
10409 - 10420	Theoretical Studies on the Thermodynamics and Kinetics of the N-Glycosidic Bond Cleavage in Deoxythymidine Glycol Chen ZQ, Zhang CH, Xue Y
10421 - 10427	Identification of Spectroscopic Patterns of CH center dot center dot center dot O H-Bonds in Proteins Scheiner S
10428 - 10435	Conformation Dependence of DNA Exciton Parentage Starikov EB, Cuniberti G, Tanaka S
10436 - 10444	Computational Insights into the Mechanism of Ligand Unbinding and Selectivity of Estrogen Receptors Shen J, Li WH, Liu GX, Tang Y, Jiang HL
10445 - 10453	Photophysical Studies on the Supramolecular Photochirogenesis for the Photocyclodimerization of 2-Anthracenecarboxylate within Human Serum Albumin Pace TCS, Nishijima M, Wada T, Inoue Y, Bohne C
10454 - 10458	Probing the Interaction of Magnetic Iron Oxide Nanoparticles with Bovine Serum Albumin by Spectroscopic Techniques Yang QQ, Liang JG, Han HY
10459 - 10464	Enhanced Protein Steering: Cooperative Electrostatic and van der Waals Forces in Antigen-Antibody Complexes Persson BA, Jonsson B, Lund M
10465 - 10471	Headgroup-Dependent Membrane Catalysis of Apelin-Receptor Interactions Is Likely Langelaan DN, Rainey JK
10472 - 10479	Analog Noise Reduction in Enzymatic Logic Gates Melnikov D, Strack G, Pita M, Privman V, Katz E
10480 - 10482	Investigation of Photoexcited States in Porcine Eumelanin through Their Transient Radical Products Wang A, Marino AR, Gasyna EM, Sarna T, Norris JR
10483 - 10495	Polarization Effects Stabilize Bacteriorhodopsin's Chromophore Binding Pocket: A Molecular Dynamics Study Babitzki G, Denschlag R, Tavan P
10496 - 10508	The Infrared Spectra of the Retinal Chromophore in Bacteriorhodopsin Calculated by a DFT/MM Approach Babitzki G, Mathias G, Tavan P
10509 - 10514	First Principle Theory for pK(a) Prediction at Molecular Level: pH Effects Based on Explicit Solvent Model Kido K, Sato H, Sakaki S
10515 - 10520	Differential Biophysical Behavior of Human Telomeric RNA and DNA Quadruplex Arora A, Maiti S
10521 - 10529	Influence of Electrostatic Interactions on the Fibrillation Process of Human Serum Albumin Juarez J, Lopez SG, Cambon A, Taboada P, Mosquera V
10530 - 10539	Time-Resolved Resonance Raman and Density Functional Theory Investigation of the Photochemistry of (S)-Ketoprofen Chuang YP, Xue JD, Du Y, Li MD, An HY, Phillips DL
10540 - 10547	Broken-Symmetry DFT Spin Densities of Iron Nitrosyls, Including Roussin's Red and Black Salts: Striking Differences between Pure and Hybrid Functionals Hopmann KH, Conradie J, Ghosh A
10548 - 10548	Factors That Affect the Degree of Twist in beta-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-beta Filament of the GNNQQNY Peptide (vol 113, pg 1728, 2009) Periole X, Rampioni A, Vendruscolo M, Mark AE
10548 - 10548	Preparation of Silica Coatings Heavily Doped with Spiropyran Using Perhydropolysilazane as the Silica Source and Their Photochromic Properties (vol 113, pg 5769, 2009) Yamano A, Kozuka H
10548 - 10548	H-1 Photo-CIDNP Enhancements in Heteronuclear Correlation NMR Spectroscopy (vol 113, pg 8310, 2009) Sekhar A, Cavagnero S