| 3245 - 3256 |
A DFT Study of the cis-Dihydroxylation of Nitroaromatic Compounds Catalyzed by Nitrobenzene Dioxygenase
Pabis A, Geronimo I, Paneth P |
| 3257 - 3266 |
Aqueous Poly(amidoamine) Dendrimer G3 and G4 Generations with Several Interior Cores at pHs 5 and 7: A Molecular Dynamics Simulation Study
Kavyani S, Arnjad-Iranagh S, Modarress H |
| 3267 - 3280 |
New Solvates of an Old Drug Compound (Phenobarbital): Structure and Stability
Zencirci N, Griesser UJ, Gelbrich T, Kahlenberg V, Jetti RKR, Apperley DC, Harris RK |
| 3281 - 3290 |
On the Potential of Hyperpolarized Water in Biomolecular NMR Studies
Harris T, Szekely O, Frydman L |
| 3291 - 3297 |
Ultrafast Dynamical Study of Pyrene-N,N-dimethylaniline (PyDMA) as an Organic Molecular Diode in Solid State
Veedu ST, Raiser D, Kia R, Scholz M, Techert S |
| 3298 - 3309 |
Fine Refinement of Solid-State Molecular Structures of Leu- and Met-Enkephalins by NMR Crystallography
Pawlak T, Potrzebowski MJ |
| 3310 - 3316 |
Solvent Effects on the Dynamics of Amyloidogenic Insulin Revealed by Neutron Spin Echo Spectroscopy
Erlkamp M, Grobelny S, Faraone A, Czeslik C, Winter R |
| 3317 - 3325 |
How Quickly Can a beta-Hairpin Fold from Its Transition State?
Markiewicz BN, Yang LJ, Culik RM, Gao YQ, Gai F |
| 3326 - 3334 |
Capping Amyloid beta-Sheets of the Tau-Amyloid Structure VQIVYK with Hexapeptides Designed To Arrest Growth. An ONIOM and Density Functional Theory Study
Plumley JA, Ali-Torres J, Pohl G, Dannenberg JJ |
| 3335 - 3345 |
The Structure of Lipid Bilayers Adsorbed on Activated Carboxy-Terminated Monolayers Investigated by Sum Frequency Generation Spectroscopy
Casford MTL, Ge A, Kett PJN, Ye S, Davies PB |
| 3346 - 3354 |
Molecular Simulation of Protein Encapsulation in Vesicle Formation
van Hoof B, Markvoort AJ, van Santen RA, Hilbers PAJ |
| 3355 - 3365 |
Dynamic Behavior of the Active and Inactive States of the Adenosine A(2A) Receptor
Lee S, Bhattacharya S, Grissharnmer R, Tate C, Vaidehi N |
| 3366 - 3371 |
Toward Vibrational Dynamics at Liquid-Liquid and Nano-Interfaces: Time-Resolved Sum-Frequency Scattering
Scheu R, Roke S |
| 3372 - 3377 |
Colloidal Crystal Formation at the "Nafion-Water" Interface
Bunkin NF, Gorelik VS, Kozlov VA, Shkirin AV, Suyazov NV |
| 3378 - 3384 |
Solvent Polarity Considerations Are Unable to Describe Fullerene Solvation Behavior
Chaban VLV, Maciel C, Fileti EE |
| 3385 - 3391 |
Thermal Conductivity of Molten Alkali Metal Fluorides (LiF, NaF, KF) and Their Mixtures
Ishii Y, Sato K, Salanne M, Madden PA, Ohtori N |
| 3392 - 3400 |
Can an Ab Initio Three-Body Virial Equation Describe the Mercury Gas Phase?
Wiebke J, Wormit M, Hellmann R, Pahl E, Schwerdtfeger P |
| 3401 - 3408 |
Effect of Confinement on Excited-State Proton Transfer of Firefly's Chromophore D-Luciferin in AOT Reverse Micelles
Kuchlyan J, Banik D, Kundu N, Ghosh S, Banerjee C, Sarkar N |
| 3409 - 3422 |
Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force Field
Mondal A, Balasubramanian S |
| 3423 - 3430 |
Molecular Dynamics Simulation Study of Methanesulfonic Acid
Canales M, Aleman C |
| 3431 - 3440 |
Blind Prediction of Binding Affinities for Charged Supramolecular Host-Guest Systems: Achievements and Shortcomings of DFT-D3
Sure R, Antony J, Grimme S |
| 3441 - 3450 |
Terminal Index: A New Way for Precise Description of Topologic Structure of Highly Branched Polymers Derived from A(2) + B-3 Stepwise Polymerization
Chen H, Kong J |
| 3451 - 3460 |
Isothermal Behavior of the Soret Effect in Nonionic Microemulsions: Size Variation by Using Different n-Alkanes
Naumann P, Datta S, Sottmann T, Arlt B, Frielinghaus H, Wiegand S |
| 3461 - 3468 |
Chain-Length-Dependent Autocatalytic Hydrolysis of Fatty Acid Anhydrides in Polyethylene Glycol
Cao C, Wang QB, Tang LJ, Ge BQ, Chen ZX, Deng SP |
| 3469 - 3477 |
Orientational Order of Two Fluoro- and Isothiocyanate-Substituted Nematogens by Combination of C-13 NMR Spectroscopy and DFT Calculations
Calucci L, Carignani E, Geppi M, Macchi S, Mennucci B, Urban S |
