Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.114, No.20 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (46 articles)

6765 - 6769	Pressure-Induced Phase Transition in Hydrogen-Bonded Supramolecular Structure: Guanidinium Nitrate Wang R, Li SR, Wang K, Duan DF, Tang LY, Cui T, Liu BB, Cui QL, Liu J, Zou B, Zou GT
6770 - 6778	Solvent Effects on the Valence UV-Vis Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature: A Nanoseconds Time-Scale TD-DFT/MD Computational Study Zazza C, Coletta A, Sanna N, Chillemi G, Mancini G, Desideri A
6779 - 6785	Plasma-Induced Grafting of Cyclodextrin onto Multiwall Carbon Nanotube/Iron Oxides for Adsorbent Application Hu J, Shao DD, Chen CL, Sheng GD, Li JX, Wang XK, Nagatsu M
6786 - 6798	Molecular Dynamics Simulation and Pulsed-Field Gradient NMR Studies of Bis(fluorosulfonyl)imide (FSI) and Bis[(trifluoromethyl)sulfonyl]imide (TFSI)-Based Ionic Liquids Borodin O, Gorecki W, Smith GD, Armand M
6799 - 6805	First-Principles Lattice Energy Calculation of Urea and Hexamine Crystals by a Combination of Periodic DFT and MP2 Two-Body Interaction Energy Calculations Tsuzuki S, Orita H, Honda K, Mikami M
6806 - 6816	Spatial Distribution of gamma-Crystals in Metallocene-Made Isotactic Polypropylene Crystallized under Combined Thermal and Flow Fields Wang Y, Pan JL, Mao YM, Li ZM, Li LB, Hsiao BS
6817 - 6824	Computational Study on Compound I Redox-Active Species in Horseradish Peroxydase Enzyme: Conformational Fluctuations and Solvation Effects Zazza C, Palma A, Sanna N, Tatoli S, Aschi M
6825 - 6829	Enhanced Thermal Conductivity of Polyimide Films via a Hybrid of Micro-and Nano-Sized Boron Nitride Li TL, Hsu SLC
6830 - 6835	Influence of Oxide Particle Network Morphology on Ion Solvation and Transport in "Soggy Sand" Electrolytes Das SK, Bhattacharyya AJ
6836 - 6849	Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field Shinoda W, DeVane R, Klein ML
6850 - 6854	A Closer Look at the Structure of Sterically Stabilized Liposomes: A Small-Angle X-ray Scattering Study Varga Z, Berenyi S, Szokol B, Orfi L, Keri G, Petak I, Hoell A, Bota A
6855 - 6865	Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers Fernandez ML, Marshall G, Sagues F, Reigada R
6866 - 6871	Comparative Studies on the Influence of beta-Sitosterol and Stigmasterol on Model Sphingomyelin Membranes: A Grazing-Incidence X-ray Diffraction Study Hac-Wydro K, Flasinski M, Broniatowski M, Dynarowicz-Latka P, Majewski J
6872 - 6877	Carbohydrate-Modified Siloxane Surfactants and Their Adsorption and Aggregation Behavior in Aqueous Solution Wang GY, Du ZP, Li QX, Zhang W
6878 - 6885	Analysis of Cross-Section Structure of a Polymer Wrapping Film Using Infrared Attenuated Total Reflection Imaging Technique with an Aid of Chemometrics Sakabe T, Yamazaki S, Hasegawa T
6886 - 6904	On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II Yan TY, Wang YT, Knox C
6905 - 6921	On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I Yan TY, Wang YT, Knox C
6922 - 6931	The Self-Consistent Charge Density Functional Tight Binding Method Applied to Liquid Water and the Hydrated Excess Proton: Benchmark Simulations Maupin CM, Aradi B, Voth GA
6932 - 6936	Application of the SCC-DFTB Method to H+(H2O)(6), H+(H2O)(21), and H+(H2O)(22) Choi TH, Jordan KD
6937 - 6942	Measurement of Thermodiffusion Coefficient in n-Alkane Binary Mixtures: Composition Dependence Madariaga JA, Santamaria C, Bou-Ali MM, Urteaga P, De Mezquia DA
6943 - 6953	Mechanism of CO + N2O Reaction via Transient CO32- Species over Crystalline Fe-Substituted Lanthanum Titanates Pai MR, Banerjee AM, Kartha K, Pai RV, Kamble VS, Bharadwaj SR
6954 - 6961	Interfacial Properties of an Ionic Liquid by Molecular Dynamics Heggen B, Zhao W, Leroy F, Dammers AJ, Muller-Plathe F
6962 - 6967	Do Stable Nanobubbles Exist in Mixtures of Organic Solvents and Water? Habich A, Ducker W, Dunstan DE, Zhang XH
6968 - 6972	Structural Assignment of 6-Oxy Purine Derivatives through Computational Modeling, Synthesis, X-ray Diffraction, and Spectroscopic Analysis Zhao XY, Chen X, Yang GF, Zhan CG
6973 - 6978	Formation Characteristics of Synthesized Natural Gas Hydrates in Meso-and Macroporous Silica Gels Kang SP, Lee JW
6979 - 6989	Extracting Physically Intuitive Reaction Coordinates from Transition Networks of a beta-Sheet Miniprotein Qi B, Muff S, Caflisch A, Dinner AR
6990 - 6994	Activity Coefficients at Infinite Dilution Measurements for Organic Solutes and Water in the Ionic Liquid 1-(3-Hydroxypropyl)pyridinium Trifiuorotris(perfluoroethyl)phosphate Marciniak A, Wlazlo M
6995 - 7001	Relationship between Structure, Entropy, and Diffusivity in Water and Water-Like Liquids Agarwal M, Singh M, Sharma R, Alam MP, Chakravarty C
7002 - 7008	Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
7009 - 7015	Coarse Grained Simulations of Local Anesthetics Encapsulated into a Liposome Pickholz M, Giupponi G
7016 - 7021	Systematic Study of Soft X-ray Spectra of Poly(Dg)center dot Poly(Dc) and Poly(Da)center dot Poly(Dt) DNA Duplexes Hua WJ, Yamane H, Gao B, Jiang J, Li SH, Kato HS, Kawai M, Hatsui T, Luo Y, Kosugi N, Agren H
7022 - 7028	Characterization of the Structures of Phosphodiesterase 10 Binding with Adenosine 3',5'-Monophosphate and Guanosine 3',5'-Monophosphate by Hybrid Quantum Mechanical/Molecular Mechanical Calculations Lu HT, Goren AC, Zhan CG
7029 - 7036	Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Wild-Type and Seven Mutants of CpNagJ in Complex with PUGNAc Lameira J, Alves CN, Moliner V, Marti S, Castillo R, Tunon I
7037 - 7046	Insights into the Mechanism of Binding of Arachidonic Acid to Mammalian 15-Lipoxygenases Toledo L, Masgrau L, Marechal JD, Lluch JM, Gonzalez-Lafont A
7047 - 7055	Simulating Proton Transport through a Simplified Model for Trans-Membrane Proteins Shepherd LMS, Morrison CA
7056 - 7061	Comparative Characterization of Short Monomeric Polyglutamine Peptides by Replica Exchange Molecular Dynamics Simulation Nakano M, Watanabe H, Rothstein SM, Tanaka S
7062 - 7070	Hemoglobin-Silver Interaction and Bioconjugate Formation: A Spectroscopic Study Mahato M, Pal P, Kamilya T, Sarkar R, Chaudhuri A, Talapatra GB
7071 - 7077	Effect of the Disulfide Bond on the Monomeric Structure of Human Amylin Studied by Combined Hamiltonian and Temperature Replica Exchange Molecular Dynamics Simulations Laghaei R, Mousseau N, Wei GH
7078 - 7089	Brain Chemistry: How Does P450 Catalyze the O-Demethylation Reaction of 5-Methoxytryptamine to Yield Serotonin? Schyman P, Usharani D, Wang Y, Shaik S
7090 - 7097	Contributions of Components in Guanidine Hydrochloride to Hemoglobin Unfolding Investigated by Protein Film Electrochemistry Mai ZB, Zhao XJ, Dai Z, Zou XY
7098 - 7103	Molecular Insights into the Ion-Specific Kinetics of Anionic Peptides Dzubiella J
7104 - 7111	Comparative Analysis of Surface-Enhanced Raman Spectroscopy of Daidzein and Formononetin Sekine R, Vongsvivut J, Robertson EG, Spiccia L, McNaughton D
7112 - 7120	Two-Photon and Time-Resolved Fluorescence Conformational Studies of Aggregation in Amyloid Peptides Wang Y, Clark TB, Goodson T
7121 - 7130	Spectroscopic and Thermodynamic Comparisons of Escherichia coli DNA Photolyase and Vibrio cholerae Cryptochrome 1 Sokolowsky K, Newton M, Lucero C, Wertheim B, Freedman J, Cortazar F, Czochor J, Schelvis JPM, Gindt YM
7131 - 7131	Premicellar Aggregation of Amphiphilic Molecules (vol 111, pg 8854, 2007) Hadgiivanova R, Diamant H
7132 - 7132	Dense Packings of Hard Spheres of Different Sizes Based on Filling Interstices in Uniform Three-Dimensional Tilings (vol 112, pg 8139, 2008) Hudson TS, Harrowell P