| 205 - 216 |
Medium Effects on the Nucleation and Growth Mechanisms during the Redox Switching Dynamics of Conducting Polymers: Case of Poly(3,4-ethylenedioxythiophene)
Randriamahazaka H, Bonnotte T, Noel V, Martin P, Ghilane J, Asaka K, Lacroix JC |
| 217 - 230 |
DNA Compaction by a Dendrimer
Nandy B, Maiti PK |
| 231 - 241 |
Measuring Order in Contact-Poled Organic Electrooptic Materials with Variable-Angle Polarization-Referenced Absorption Spectroscopy (VAPRAS)
Olbricht BC, Sullivan PA, Dennis PC, Hurst JT, Johnson LE, Benight SJ, Davies JA, Chen AT, Eichinger BE, Reid PJ, Dalton LR, Robinson BH |
| 242 - 248 |
The Influence of the Linkage Pattern on the Optoelectronic Properties of Polysilafluorenes: A Theoretical Study
Chen RF, Liu LY, Fu H, Zheng C, Xu H, Fan QL, Huang W |
| 249 - 261 |
Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization
Rahaman O, van Duin ACT, Goddard WA, Doren DJ |
| 262 - 268 |
Probing Intermolecular Interaction through Thermal-Lens Spectroscopy
Bhattacharyya I, Kumar P, Goswami D |
| 269 - 277 |
Observing the Solubilization of Lipid Bilayers by Detergents with Optical Microscopy of GUVs
Sudbrack TP, Archilha NL, Itri R, Riske KA |
| 278 - 287 |
Effects of Defects on Thermal Decomposition of HMX via ReaxFF Molecular Dynamics Simulations
Zhou TT, Huang FL |
| 288 - 299 |
Modeling the Dissociation Conditions of Salt Hydrates and Gas Semiclathrate Hydrates: Application to Lithium Bromide, Hydrogen Iodide, and Tetra-n-butylammonium Bromide plus Carbon Dioxide Systems
Paricaud P |
| 300 - 309 |
In Silico Predictions of the Temperature-Dependent Viscosities and Electrical Conductivities of Functionalized and Nonfunctionalized Ionic Liquids
Eiden P, Bulut S, Kochner T, Friedrich C, Schubert T, Krossing I |
| 310 - 318 |
Spatial Decomposition of Solvation Free Energy Based on the 3D Integral Equation Theory of Molecular Liquid: Application to Miniproteins
Yamazaki T, Kovalenko A |
| 319 - 328 |
Calculation of Local Water Densities in Biological Systems: A Comparison of Molecular Dynamics Simulations and the 3D-RISM-KH Molecular Theory of Solvation
Stumpe MC, Blinov N, Wishart D, Kovalenko A, Pande VS |
| 329 - 332 |
Accurate Color Tuning of Firefly Chromophore by Modulation of Local Polarization Electrostatic Fields
Cai DJ, Marques MAL, Nogueira F |
| 333 - 346 |
Topological Study of the Late Steps of the Artemisinin Decomposition Process: Modeling the Outcome of the Experimentally Obtained Products
Moles P, Oliva M, Safont VS |
| 347 - 353 |
Crowding Effects on Protein Association: Effect of Interactions between Crowding Agents
Kim JS, Yethiraj A |
| 354 - 365 |
Methyl Dynamics of a Ca2+-Calmodulin-Peptide Complex from NMR/SRLS
Shapiro YE, Polimeno A, Freed JH, Meirovitch E |
| 366 - 375 |
Role of Cationic Group Structure in Membrane Binding and Disruption by Amphiphilic Copolymers
Palermo EF, Lee DK, Ramamoorthy A, Kuroda K |
| 376 - 388 |
Integrated Computational Approach to the Analysis of NMR Relaxation in Proteins: Application to ps-ns Main Chain N-15-H-1 and Global Dynamics of the Rho GTPase Binding Domain of Plexin-B1
Zerbetto M, Buck M, Meirovitch E, Polimeno A |
| 389 - 396 |
QM/MM Free Energy Simulations of Salicylic Acid Methyltransferase: Effects of Stabilization of TS-like Structures on Substrate Specificity
Yao JZ, Xu Q, Chen F, Guo H |
| 397 - 405 |
Conformational Analysis of a Nitroxide Side Chain in an alpha-Helix with Density Functional Theory
Warshaviak DT, Serbulea L, Houk KN, Hubbell WL |
