Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.112, No.8 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (29 articles)

2293 - 2298	Elastic constants and related mechanical properties of the monoclinic polymorph of the carbamazepine molecular crystal Mohapatra H, Eckhardt CJ
2299 - 2310	Interactions between sulfobetaine-based polyzwitterions and polyelectrolytes Mary P, Bendejacq DD
2311 - 2314	Examination of cucurbit[7]uril and its host-guest complexes by diffusion nuclear magnetic resonance Wheate NJ, Kumar PGA, Torres AM, Aldrich-Wright JR, Price WS
2315 - 2318	Electronic and conformational properties of the conjugated polymer MEH-PPV at a buried film/solid interface investigated by two-dimensional IR-visible sum frequency generation Li Q, Hua R, Chou KC
2319 - 2325	Structural and spectroscopic study of a novel erbium titanate pink pigment prepared by sol-gel methodology Martos M, Julian-Lopez B, Cordoncillo E, Escribano P
2326 - 2334	Molecular simulation study of peptide amphiphile self-assembly Velichko YS, Stupp SI, de la Cruz MO
2335 - 2339	Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids Finotello A, Bara JE, Narayan S, Camper D, Noble RD
2340 - 2348	Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/Simulation method for free energy of solvation Freedman H, Le L, Tuszynski JA, Truong TN
2349 - 2356	Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: Free energetics of an excess proton in a water droplet Koffinger J, Dellago C
2357 - 2371	Molecular dynamics simulation and thermodynamic modeling of the self-assembly of the triterpenoids asiatic acid and madecassic acid in aqueous solution Stephenson BC, Goldsipe A, Blankschtein D
2372 - 2381	Assessment of multicoefficient correlation methods, second-order moller-plesset perturbation theory, and density functional theory for H3O+(H2O)(n) (n=1-5) and OH-(H2O)(n) (n=1-4) Dahlke EE, Orthmeyer MA, Truhlar DG
2382 - 2387	Structure of aqueous solutions of ionic liquid 1-butyl-3-met-hylimidazolium tetrafluoroborate by small-angle neutron scattering Almasy L, Turmine M, Perera A
2388 - 2398	Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic Simulations Fischer J, Paschek D, Geiger A, Sadowski G
2399 - 2404	Heterogeneous crystal growth of methane hydrate on its sII [001] crystallographic face Vatamanu J, Kusalik PG
2405 - 2414	Charge asymmetries in hydration of polar solutes Mobley DL, Barber AE, Fennell CJ, Dill KA
2415 - 2429	Molecular dynamics study of the interface between water and 2-nitrophenyl octyl ether Jorge M, Natalia M, Cordeiro DS
2430 - 2438	Microhydration of protonated glycine: An ab initio family tree Michaux C, Wouters J, Perpete EA, Jacquemin D
2439 - 2444	Molecular recognition with DNA nanoswitches: Effects of single base mutations on structure Mountford CP, Buck AH, Catnpbell CJ, Dickinson P, Ferapontova EE, Terry JG, Beattie JS, Walton AJ, Ghazal P, Mount AR, Craint J
2445 - 2455	Monitoring biological membrane-potential changes: A CI QM/MM study Rusu CF, Lanig H, Othersen OG, Kryschi C, Clark T
2456 - 2465	Pathways for conformational change in nitrogen regulatory protein C from discrete path sampling Khalili M, Wales DJ
2466 - 2482	A new mechanism for methane production from methyl-coenzyme M reductase as derived from density functional calculations Duin EC, Mckee ML
2483 - 2493	Hydration of simple amides. FTIR spectra of HDO and theoretical studies Panuszko A, Gojlo E, Zielkiewicz J, Smiechowski M, Krakowiak J, Stangret J
2494 - 2500	Peptide hydrolysis by the binuclear zinc enzyme aminopeptidase from Aeromonas proieolytica: A density functional theory study Chen SL, Marino T, Fang WH, Russo N, Himo F
2501 - 2510	Protonation of the proximal histidine ligand in heme peroxidases Heimdal J, Rydberg P, Ryde U
2511 - 2523	Mechanism of thioredoxin-catalyzed disulfide reduction. Activation of the buried thiol and role of the variable active-site residues Carvalho ATP, Swart M, van Stralen JNP, Fernandes PA, Ramos MJ, Bickelhaupt FM
2524 - 2532	Evaluation of blue and green absorbing proteorhodopsins as holographic materials Xi B, Tetley WC, Marcy DL, Zhong C, Whited G, Birge RR, Stuartt JA
2533 - 2541	Computational prediction of absorbance maxima for a structurally diverse series of engineered green fluorescent protein chromophores Timerghazin QK, Carlson HJ, Liang C, Campbell RE, Brown A
2542 - 2547	Effects of pyrophosphate ions on protein adsorption onto calcium hydroxyapatite Kandori K, Oda S, Tsuyama S
2548 - 2556	Magnesium isotope effects in enzymatic phosphorylation Buchachenko AL, Kouznetsov DA, Breslavskaya NN, Orlova MA