| 8811 - 8825 |
Tribute to Branka M. Ladanyi
Levinger NE, Maroncelli M, Stratt RM |
| 8826 - 8841 |
Ultra-Broadband Dielectric and Optical Kerr-Effect Study of the Ionic Liquids Ethyl and Propylammonium Nitrate
Sonnleitner T, Turton DA, Hefter G, Ortner A, Waselikowski S, Walther M, Wynne K, Buchner R |
| 8842 - 8851 |
Role of Red-Ox Cycle in Structural Oscillations and Solvation Dynamics in the Mitochondria of a Live Cell
Chattoraj S, Chowdhury R, Dey SK, Jana SS, Bhattacharyya K |
| 8852 - 8862 |
The Influence of Cholesterol on Fast Dynamics Inside of Vesicle and Planar Phospholipid Bilayers Measured with 2D IR Spectroscopy
Kel O, Tamimi A, Fayer MD |
| 8863 - 8867 |
Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water
Chaudhari MI, Pratt LR, Paulaitis ME |
| 8868 - 8878 |
Molecular Dynamics Simulations of Ibuprofen Release from pH-Gated Silica Nanochannels
Rodriguez J, Elola MD |
| 8879 - 8889 |
Shock Wave Induced Collapse of Arrays of Nanobubbles Located Next to a Lipid Membrane: Coarse-Grained Computer Simulations
Santo KP, Berkowitz ML |
| 8890 - 8899 |
Dynamic Control of Nanopore Wetting in Water and Saline Solutions under an Electric Field
Vanzo D, Bratko D, Luzar A |
| 8900 - 8908 |
Tuning the Hydrophobic Interaction: Ultrafast Optical Kerr Effect Study of Aqueous lonene Solutions
Palombo F, Heisler IA, Hribar-Lee B, Meech SR |
| 8909 - 8916 |
Nonlinear Dielectric Behavior of a Secondary Relaxation: Glassy D-Sorbitol
Samanta S, Richert R |
| 8917 - 8925 |
Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy
Cyran JD, Nite JM, Krummel AT |
| 8926 - 8938 |
Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study
Guardia E, Skarmoutsos I, Masia M |
| 8939 - 8949 |
Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains
Rahaman O, Kalimeri M, Melchionna S, Henin J, Sterpone F |
| 8950 - 8959 |
Two-Dimensional Vibrational Spectroscopy of a Dissipative System with the Optimized Mean-Trajectory Approximation
Alemi M, Loring RF |
| 8960 - 8968 |
A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium
Vella JR, Stillinger FH, Panagiotopoulos AZ, Debenedetti PG |
| 8969 - 8983 |
Theoretical Sum Frequency Generation Spectroscopy of Peptides
Carr JK, Wang L, Roy S, Skinner JL |
| 8984 - 8991 |
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?
Cupellini L, Amovilli C, Mennucci B |
| 8992 - 8999 |
A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks
Annapureddy HVR, Nune SK, Motkuri RK, McGrail BP, Dang LEX |
| 9000 - 9005 |
Size-Dependent Accuracy of Nanoscale Thermometers
Alicki R, Leitner DM |
| 9006 - 9008 |
Kubo's Line Shape Function for a Linear-Quadratic Chromophore-Solvent Coupling
Matyushov DV |
| 9009 - 9019 |
Isothermal Nucleation Rates of n-Propanol, n-Butanol, and n-Pentanol in Supersonic Nozzles: Critical Cluster Sizes and the Role of Coagulation
Mullick K, Bhabhe A, Manka A, Wolk J, Strey R, Wyslouzil BE |
| 9020 - 9028 |
Photon Antibunching in Small Clusters of CdSe/ZnS Core/Shell Quantum Dots
Whitcomb KJ, Geisenhoff JQ, Ryan DP, Gelfand MP, Van Orden A |
| 9029 - 9037 |
Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models
Hummer G, Szabo A |
| 9038 - 9048 |
Interaction of L-Phenylalanine with a Phospholipid Monolayer at the Water-Air Interface
Griffith EC, Perkins RJ, Telesford DM, Adams EM, Cwiklik L, Allen HC, Roeseova M, Vaida V |
| 9049 - 9055 |
A Molecular Mechanism of Ice Nucleation on Model Agl Surfaces
Zielke SA, Bertram AK, Patey GN |
| 9056 - 9067 |
Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme
Farag MH, Ruiz-Lopez MF, Bastida A, Monard G, Ingrosso F |
| 9068 - 9075 |
Bringing Reactivity to the Aggregation-Volume-Bias Monte Carlo Based Simulation Framework: Water Nucleation Induced by a Reactive Proton
Kumar R, Knight C, Wick CD, Chen B |
| 9076 - 9083 |
Liquid-Liquid Phase Transitions in Tetrahedrally Coordinated Fluids via Wertheim Theory
Smallenburg F, Filion L, Sciortino F |
| 9084 - 9090 |
Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA(2) in AOT Reverse Micelles
Martinez AV, Malolepsza E, Dominguez L, Lu Q, Straub JE |
| 9091 - 9097 |
Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model
Choi E, Yethiraj A |
| 9098 - 9102 |
Hydration of Kr(aq) in Dilute and Concentrated Solutions
Chaudhari MI, Sabo D, Pratt LR, Rempe SB |
| 9103 - 9113 |
How Local and Average Particle Diffusivities of Inhomogeneous Fluids Depend on Microscopic Dynamics
Bollinger JA, Jain A, Truskett TM |
| 9114 - 9122 |
The Surface Potential of the Water-Vapor Interface from Classical Simulations
Cendagorta JR, Ichiye T |
| 9123 - 9128 |
Equilibrium and Dynamical Characteristics of Imidazole Langmuir Monolayers on Graphite Sheets
Rodriguez J, Elola MD, Laria D |
| 9129 - 9139 |
Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra
Sun X, Ladanyi BM, Stratt RM |
| 9140 - 9149 |
Force Field Model of Periodic Trends in Biomolecular Halogen Bonds
Scholfield MR, Ford MC, Zanden CMV, Billman MM, Ho PS, Rappe AK |
| 9150 - 9159 |
Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents
Harvey JA, Thompson WH |
| 9160 - 9166 |
Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory
Gunawardana KGSH, Song XY |
| 9167 - 9172 |
Hydrogen Bonding between Water and Tetrahydrofuran Relevant to Clathrate Formation
Shultz MJ, Vu TH |
| 9173 - 9187 |
Effects of Aromaticity in Cations and Their Functional Groups on the Low-Frequency Spectra and Physical Properties of Ionic Liquids
Shirota H, Matsuzaki H, Ramati S, Wishart JF |
| 9188 - 9194 |
Large and Long-Range Dynamic Correlations in Supercooled Fluids Revealed via Four-Point Correlation Functions
Flenner E, Szamel G |
| 9195 - 9211 |
Coarse-Grained Langevin Equation for Protein Dynamics: Global Anisotropy and a Mode Approach to Local Complexity
Copperman J, Guenza MG |
| 9212 - 9218 |
Hydrated Excess Protons Can Create Their Own Water Wires
Peng YX, Swanson JMJ, Kang SG, Zhou RH, Voth GA |
| 9219 - 9224 |
Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface
Green AJ, Space B |
| 9225 - 9235 |
Ionic Liquid-Solute Interactions Studied by 2D NOE NMR Spectroscopy
Khatun S, Castner EW |
| 9236 - 9243 |
Hydrophobic Hydration in Water-tert-Butyl Alcohol Solutions by Extended Depolarized Light Scattering
Comez L, Paoantoni M, Lupi L, Sassi P, Corezzi S, Morres A, Fioretto D |
| 9244 - 9253 |
Disordered Atom Molecular Potential for Water Parameterized against Neutron Diffraction Data. Application to the Structure of Ice Ih
Soper AK |
| 9254 - 9267 |
The Photophysics of Three Naphthylmethylene Malononitriles
Breffke J, Williams BW, Maroncelli M |
| 9268 - 9277 |
Hydrophobicity Scaling of Aqueous Interfaces by an Electrostatic Mapping
Remsing RC, Weeks JD |
| 9278 - 9286 |
Effect of Solvent Dielectric Constant and Acidity on the OH Vibration Frequency in Hydrogen-Bonded Complexes of Fluorinated Ethanols
Pines D, Keinan S, Kiefer PM, Hynes JT, Pines E |
| 9287 - 9294 |
Lengthscale-Dependent Solvation and Density Fluctuations in n-Octane
Wu E, Garde S |
| 9295 - 9303 |
Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition
Silveira RL, Skaf MS |
| 9304 - 9311 |
Scattering Form Factors for Russian Doll Aerosol Droplet Models
Obeidat A, Hrahsheh F, Wilemski G |
| 9312 - 9318 |
Classical Description of the Vibrational Spectroscopy, Structure, and Electrostatics of the Halide Solvation Shell with the POLIR Potential
Ozer G, Keyes T |
| 9319 - 9334 |
Electric Field Effect on Phospholipid Monolayers at an Aqueous-Organic Liquid-Liquid Interface
Yu H, Yzeiri I, Hou BY, Chen CH, Bu W, Vanysek P, Chen YS, Lin BH, Kral P, Schlossman ML |
| 9335 - 9344 |
Two-Photon Excitation of trans-Stilbene: Spectroscopy and Dynamics of Electronically Excited States above S-1
Houk AL, Zheldakov IL, Tommey TA, Elles CG |
| 9345 - 9358 |
Assessing Polarizability Models for the Simulation of Low-Frequency Raman Spectra of Benzene
Bender JS, Coasne B, Fourkas JT |
| 9359 - 9368 |
Temperature and Hydration Dependence of Low-Frequency Spectra of Lipid Bilayers Studied by Terahertz Time-Domain Spectroscopy
Yamamoto N, Andachi T, Tamura A, Tominaga K |
| 9369 - 9376 |
Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: the CHILL plus Algorithm
Nguyen AH, Molinero V |
| 9377 - 9390 |
Molecular Dynamics Simulation of Water between Metal Walls under an Electric Field: Dielectric Response and Dynamics after Field Reversal
Takae K, Onuki A |
| 9391 - 9400 |
Effects of Cholesterol on the Thermodynamics and Kinetics of Passive Transport of Water through Lipid Membranes
Issack BB, Peslherbe GH |
| 9401 - 9416 |
Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field
Li H, Ngo V, Da Siva MC, Salahub DR, Callahan K, Roux B, Noskov SY |
| 9417 - 9422 |
Influence of a Neighboring Charged Group on Hydrophobic Hydration Shell Structure
Davis JG, Zukowski SR, Rankin BM, Ben-Amotz D |
| 9423 - 9437 |
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model
Laury ML, Wang LP, Pande VS, Head-Gordon T, Ponder JW |
| 9438 - 9449 |
Photogeneration and Quenching of Tryptophan Radical in Azurin
Larson BC, Pomponio JR, Shafaat HS, Kim RH, Leigh BS, Tauber MJ, Kim JE |
| 9450 - 9459 |
Solubility Limits in Lennard-Jones Mixtures: Effects of Disparate Molecule Geometries
Dyer KM, Perkyns JS, Pettitt BM |
