@article {1507,
	title = {Anomalous dynamic behavior of ions and water molecules in dilute aqueous solution of 1-butyl-3-methylimidazolium bromide studied by NMR},
	journal = {Chemical Physics Letters},
	volume = {427},
	number = {1-3},
	year = {2006},
	note = {ISI Document Delivery No.: 073OUTimes Cited: 4Cited Reference Count: 18Nakakoshi, Masamichi Ishihara, Shinji Utsumi, Hiroaki Seki, Hiroko Koga, Yoshikata Nishikawa, Keiko},
	month = {Aug},
	pages = {87-90},
	type = {Article},
	abstract = {Dynamic properties of 1-butyl-3-methylimidazolium bromide ([bmim]Br) in D2O were investigated by NMR. The diffusion coefficients of [bmim](divided by)and HDO were determined separately by the pulse field gradient method. The dynamics of Br- was estimated by the half-widths of the signals of Br-81-NMR. The results indicate that an anomalous dynamics, especially for [bmim](divided by), is evident in the region below similar to 0.1 M (0.0019 in the mole fraction of [bmim]Br). For [bmim](divided by) and HDO, maxima appeared in the curves of the diffusion coefficients plotted against the concentration. The relaxation time, T-2, for Br- showed a break in slope at this composition. Probable interpretations on these findings are presented. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {1-PROPANOL, DIFFUSION, ELECTROLYTES, H2O, LIQUIDS, MIXTURES, SOLVENTS, SPECTROSCOPY},
	isbn = {0009-2614},
	url = {<Go to ISI>://000239753300018},
	author = {Nakakoshi, M. and Ishihara, S. and Utsumi, H. and Seki, H. and Koga,Yoshikata and Nishikawa, K.}
}
@article {1618,
	title = {Sub-angstrom conformational changes of a single molecule captured by AFM variance analysis},
	journal = {Biophysical Journal},
	volume = {90},
	number = {10},
	year = {2006},
	note = {ISI Document Delivery No.: 034CETimes Cited: 20Cited Reference Count: 34},
	month = {May},
	pages = {3806-3812},
	type = {Article},
	abstract = {A system{\textquoteright}s equilibrium variance can be analyzed to probe its underlying dynamics at higher resolution. Here, using single-molecule atomic-force microscope techniques, we show how the variance in the length of a single dextran molecule can be used to establish thermodynamic equilibrium and to detect conformational changes not directly observable with other methods. Dextran is comprised of a chain of pyranose rings that each undergoes an Angstrom-scale transition from a chair to boat conformation under a stretching force. Our analysis of the variance of the molecule{\textquoteright}s fluctuations verifies equilibrium throughout the force-extension curve, consistent with the expected thermodynamic ensemble. This validates further analysis of the variance in the transition region, which reveals an intermediate conformation between the chair and the boat on the sub-Angstrom scale. Our test of thermal equilibrium as well as our variance analysis can be readily extended to a wide variety of molecules, including proteins.},
	keywords = {ATOMIC-FORCE MICROSCOPE, CHAIR-BOAT TRANSITIONS, HIGH-RESOLUTION, LIQUIDS, MECHANICAL FORCE, POLYSACCHARIDES, PROTEIN, RNA MOLECULES, SPECTROSCOPY, UBIQUITIN},
	isbn = {0006-3495},
	url = {<Go to ISI>://000236901400043},
	author = {Walther, K. A. and Brujic, J. and Li, H. B. and Fernandez, J. M.}
}
@article {4441,
	title = {Theory of ion solvation dynamics in mixed dipolar solvents},
	journal = {Journal of Chemical Physics},
	volume = {109},
	number = {8},
	year = {1998},
	note = {ISI Document Delivery No.: 114ZNTimes Cited: 38Cited Reference Count: 32},
	month = {Aug},
	pages = {3222-3231},
	type = {Article},
	abstract = {Time dependent density functional theory in its "extended linear" or "surrogate" form is used to investigate the dynamics of selective ion solvation in binary dipolar solvents. It is shown that simple analytical approximations that trap the basic physics of the solvation process can be obtained. In particular, it is found that the relaxation of:the solvent number densities about a charged solute is governed by two distinct modes clearly associated with electrostriction and redistribution processes. This is consistent with the physical picture suggested by molecular dynamics (MD) simulations. The solvent polarization relaxation is also dominated by two modes associated with the-two rotational diffusion constants of the binary solvent. In addition to the analytical approximations, full numerical solutions of the extended linear theory are obtained and the dependence of the relaxation on solvent density and solute charge is discussed. Detailed comparisons of the theory with MD simulations for a closely related model indicate that the theory is qualitatively correct, but quantitatively poor generally predicting relaxation rates which are too fast. This is due mainly to the neglect of inertial or non-Markovian effects in the theoretical approach. (C) 1998 American Institute of Physics. [S0021-9606(98)50132-8]},
	keywords = {COLLECTIVE ORIENTATIONAL RELAXATION, DIELECTRIC-RELAXATION, ELECTROLYTE-SOLUTIONS, HARD-SPHERES, INVARIANT EXPANSION, LIQUIDS, MEAN, MIXTURES, MOLECULAR THEORY, ORNSTEIN-ZERNIKE EQUATION, SPHERICAL MODEL},
	isbn = {0021-9606},
	url = {<Go to ISI>://000075639200032},
	author = {Yoshimori, A. and Day, T. J. F. and Patey, G. N.}
}
@article {3650,
	title = {Addition kinetics and spin exchange in the gas phase reaction of the ethyl radical with oxygen},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {16},
	year = {1996},
	note = {ISI Document Delivery No.: UF879Times Cited: 21Cited Reference Count: 58},
	month = {Apr},
	pages = {6561-6571},
	type = {Article},
	abstract = {The kinetics of the addition reaction of O-2 to the ethyl radical has been investigated as a function of temperature (259-425 K) and pressure (1.5-60 bar) using the muon spin relaxation technique in longitudinal magnetic fields. Within this temperature range at 1.5 bar, the chemical reaction is represented by an Arrhenius rate law with an activation energy of -4.4(4) kJ mol(-1) and an apparent frequency factor of 1.3(2) x 10(-12) cm(3) molecule(-1) s(-1). The high-pressure limit of the rate constant at 294 K amounts to k(ch)(infinity) = 8.7(8) x 10(-12) cm(3) molecule(-1) s(-1). Within error, this limit has been reached at 1.5 bar. The rate coefficient for spin exchange, k(ex) = 2.8(2) x 10(-10) cm(3) molecule(-1) s(-1), is collision controlled. The results for k(ch) agree well with experimental literature values, but the temperature dependence is more pronounced than that predicted on the basis of a RRKM extrapolation from low-pressure data. The theoretical basis for the analysis of experimental data is given, and the results are discussed.},
	keywords = {DEPENDENCE, DYNAMICS, LIQUIDS, muonium, O-2, PARAMETERS, RANGE, RATE CONSTANTS, relaxation, SPECTRA},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996UF87900032},
	author = {Dilger, H. and Schwager, M. and Tregennapiggott, P. L. W. and Roduner, E. and Reid, I. D. and Arseneau, D. J. and Pan, J. J. and Senba, M. and Shelley, M. and Fleming, Donald G.}
}
@article {2981,
	title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS - MOLECULAR-DYNAMICS AND THEORETICAL RESULTS FOR IONS IN SIMPLE DIPOLAR SOLVENTS},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {11},
	year = {1994},
	note = {ISI Document Delivery No.: NN731Times Cited: 25Cited Reference Count: 21},
	month = {Jun},
	pages = {8385-8391},
	type = {Article},
	abstract = {Computer simulation and theoretical results are given for the frequency dependent dielectric function of model electrolyte solutions. The influences of salt concentration, ionic charge, and solvent dipole moment are discussed. It is found that a substantial salt induced dielectric decrement; persists up to the dispersion frequency. At higher frequencies, however, the dielectric constant-of the solution is larger;than that of the solvent giving a salt induced dielectric increment.},
	keywords = {COMPUTER-SIMULATION, CONDUCTIVITY, CONSTANT, ELECTRICAL-PROPERTIES, electrostatic, LIQUIDS, PERIODIC BOUNDARY-CONDITIONS, SYSTEMS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NN73100060},
	author = {Chandra, A. and Patey, G. N.}
}
@article {2982,
	title = {SOLVATION DYNAMICS IN ELECTROLYTE-SOLUTIONS},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MT007Times Cited: 33Cited Reference Count: 40},
	month = {Jan},
	pages = {1552-1558},
	type = {Article},
	abstract = {A microscopic theory of the dynamics of ion solvation in electrolyte solutions is given. Consistent with the pure solvent case, the theory predicts a very fast and important inertial relaxation at short times. This is followed by oscillations and an extremely slow long-time decay associated with the formation of an equilibrium {\textquoteright}{\textquoteright}ion atmosphere{\textquoteright}{\textquoteright} about the newly charged particle.},
	keywords = {DIELECTRIC-RELAXATION, INVARIANT EXPANSION, ION, LIQUIDS, MEAN SPHERICAL MODEL, ORNSTEIN-ZERNIKE EQUATION, SIMULATIONS, SOLVENT, SPHERES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994MT00700085},
	author = {Chandra, A. and Patey, G. N.}
}
@article {2748,
	title = {DIELECTRIC-RELAXATION OF DIPOLAR LIQUIDS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {3},
	year = {1993},
	note = {ISI Document Delivery No.: LN782Times Cited: 19Cited Reference Count: 33},
	month = {Aug},
	pages = {2068-2073},
	type = {Article},
	abstract = {An approximate expression is derived for the dielectric function epsilon(k, omega). The theory includes inertial and non-Markovian effects and is free of adjustable parameters. For the k = 0 case, detailed comparisons are made with computer simulation results for dipolar soft-sphere and Stockmayer fluids, and the theory is shown to be qualitatively sound at both low and high frequencies. The present approximation should be very useful in developing a theory of solvation dynamics which properly includes important inertial effects.},
	keywords = {COMPUTER-SIMULATION, electrostatic, equation, INVARIANT EXPANSION, ION SOLVATION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR LIQUIDS, ORNSTEIN-ZERNIKE, PERIODIC BOUNDARY-CONDITIONS, POLAR, SOLVATION DYNAMICS, SYSTEMS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LN78200067},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {7146,
	title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS},
	journal = {Journal of Chemical Physics},
	volume = {94},
	number = {10},
	year = {1991},
	note = {ISI Document Delivery No.: FL001Times Cited: 29Cited Reference Count: 49},
	month = {May},
	pages = {6795-6806},
	type = {Article},
	abstract = {The dielectric relaxation theory of electrolyte solutions is formulated in terms of solvent-solvent, ion-ion, and ion-solvent van Hove time correlation functions. General wave vector frequency-dependent expressions are given for the longitudinal components of the relevant (i.e., polarization-polarization, current-current, current-polarization, polarization-current) time correlation functions and of the susceptibility, dielectric, and conductivity tensors. The Kerr theory relating the distinct and self parts of the van Hove functions is extended to mixtures of molecular fluids and solved explicitly in the k {\textendash}> 0 limit for solutions of spherical ions (assuming that the self part of the van Hove functions is given by Fick{\textquoteright}s law) immersed in polar solvents. At this level of theory, the van Hove functions, the time correlation functions and the susceptibilities are all found to depend upon coupled ion-solvent motion. However, the dynamical coupling terms are shown to cancel exactly in the final expressions for the conductivity and dielectric constant yielding relatively simple results. Specifically, the conductivity obtained is independent of frequency and is related to the self diffusion constants of the ions by the Nernst-Einstein expression. If a spherical diffusor model is chosen for the solvent, then the frequency-dependent dielectric constant is given by a Debye-type formula with a concentration dependent relationship connecting the Debye and self reorientational relaxation times of the solvent. These results are discussed in the context of previous theories and experimental observations. It is shown that, although obviously oversimplified, the present theory does qualitatively predict the correct concentration dependence of the observed relaxation times for a number of salt solutions.},
	keywords = {DIPOLAR LIQUIDS, DISPERSION, FLUIDS, friction, INVARIANT EXPANSION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR THEORY, ORNSTEIN-ZERNIKE EQUATION, POLAR, TRANSLATIONAL DIFFUSION},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1991FL00100048},
	author = {Wei, D. Q. and Patey, G. N.}
}
@article {7041,
	title = {EPITHERMAL MUONIUM PROCESSES IN METHANE AND PROPANE GASES},
	journal = {Journal of Physical Chemistry},
	volume = {95},
	number = {19},
	year = {1991},
	note = {ISI Document Delivery No.: GG383Times Cited: 7Cited Reference Count: 90},
	month = {Sep},
	pages = {7338-7344},
	type = {Article},
	abstract = {Gas-phase mu-SR studies of dense methane up to 10 mol L-1 and of propane at low densities, up to 0.2 mol L-1, are reported. It is found that the diamagnetic polarization, P(D), increases in both gases with pressure, with a related decrease seen in the muonium polarization, P(Mu). The initial increase seen in P(D) at low densities is attributed to hot-atom (Mu*) abstraction and substitution reactions. Comparisons with both hot-tritium (T*) and epithermal H* reactions in the alkanes reveal substantial isotope effects. In the case of CH4, a continued increase in P(D) at higher densities is likely due to a proton-transfer reaction from the molecular ion CH4Mu+ in the radiolysis track, forming CH3Mu, rather than to hot-atom reactions. Extrapolation of the present trend with density gives agreement with the value of P(D) found in liquid CH4, indicating that the diamagnetic muon polarization in dense alkanes depends primarily on density rather than on temperature or phase.},
	keywords = {CHARGE-EXCHANGE, CHEMISTRY, HOT-ATOM REACTIONS, HYDROCARBONS, HYDROGEN-ATOMS, LIQUIDS, POSITRONIUM, REACTION PROBABILITIES, THRESHOLD ENERGY, time},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1991GG38300043},
	author = {Kempton, J. R. and Arseneau, D. J. and Fleming, Donald G. and Senba, M. and Gonzalez, A. C. and Pan, J. J. and Tempelmann, A. and Garner, D. M.}
}
@article {7151,
	title = {EVIDENCE FOR NUCLEOPHILIC-ADDITION BY MUONIUM TO PYRAZINE IN WATER - CONTRAST WITH ORDINARY HYDROGEN},
	journal = {Journal of the American Chemical Society},
	volume = {113},
	number = {24},
	year = {1991},
	note = {ISI Document Delivery No.: GQ931Times Cited: 15Cited Reference Count: 24},
	month = {Nov},
	pages = {9096-9099},
	type = {Article},
	abstract = {The presence of heterocyclic N atoms in an aromatic solute enhance its rate of reaction toward muonium, and the free radicals formed are seen to have muonium attached to a C atom of the ring. This contrasts the behavior of H-1 in water, where addition to N-heterocyclic rings occurs an order of magnitude slower and with H attaching to N, at least in acid solution. Muonium evidently shows nucleophilic character while ordinary hydrogen atoms are electrophilic. Pyrazine (1,4-diazine) was used for this comparison with benzene because it has the advantage over pyridine of forming only two possible radicals.},
	keywords = {1-HYDROPYRIDINYL RADICALS, ATOMS, ELECTRON-SPIN RESONANCE, FREE-RADICALS, LEVEL-CROSSING-RESONANCE, LIQUIDS, ORGANIC, ROTATION, SPECTROSCOPY},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1991GQ93100010},
	author = {Wu, Z. and Barnabas, M. V. and Stadlbauer, J. M. and Venkateswaran, K. and Porter, G. B. and Walker, D. C.}
}
@article {7042,
	title = {HOT MUONIUM AND MUON SPUR PROCESSES IN NITROGEN AND ETHANE},
	journal = {Journal of Chemical Physics},
	volume = {94},
	number = {2},
	year = {1991},
	note = {ISI Document Delivery No.: EU592Times Cited: 15Cited Reference Count: 100},
	month = {Jan},
	pages = {1046-1059},
	type = {Article},
	abstract = {Muon polarizations are reported for nitrogen and ethane over a wide pressure range from below 1 to 200 atm for N2 and up to 245 atm for C2H6. The N2 measurements were made at ambient temperature, while those for C2H6 were made at temperatures both above and below the critical temperature (305.3 K). This is the first mu-SR study of muonium and diamagnetic muon formation to cover the entire range from a low pressure gas to densities typical of liquids. The data are discussed in terms of hot atom and spur models. In the lowest pressure range, below 1.5 atm for N2 and about 10 atm for C2H6, the muonium polarization increases with pressure. This is well understood in terms of epithermal charge exchange. In N2 there is a small diamagnetic fraction, which is ascribed to the N2Mu+ molecular ion. This fraction approaches zero as the pressure is increased to 200 atm, with a corresponding increase in the muonium fraction, consistent with charge neutralization of the molecular ion by electrons from the radiolysis track. In C2H6, there is a decrease in the muonium fraction and a concomitant increase of the diamagnetic fraction with density, the changes occurring in two stages. The initial change is explained by stabilization of the vibrationally excited substitution products of hot muonium reactions. The second one is explained by proton transfer from the molecular ion adduct, C2H6Mu+ + C2H6 {\textendash}> C2H5Mu + C2H7+, trapping the muon in a diamagnetic product. Both N2 and C2H6 have a missing fraction of polarization above 10 atm, most likely due to spin exchange of Mu with paramagnetic species created in the muon track. In N2, the missing fraction is recovered at pressures beyond about 150 atm, which is explained by scavenging of electrons by positive ions. In C2H6 the missing fraction is roughly constant for densities beyond 5 mol l-1 (almost-equal-to 50 atm), and about twice the maximum found for N2. Both facts are consistent with the existence of ethyl radicals and hydrogen atoms in C2H6, which are longer lived than the spur electrons.},
	keywords = {ATOM CHEMISTRY, CHARGE-EXCHANGE, COLLISIONS, COMPETING PROCESSES, DEPOLARIZATION, HYDRATED ELECTRONS, LIQUIDS, MOLECULAR-HYDROGEN, NONPOLAR, QUANTIZED RRK THEORY, RECOIL TRITIUM REACTIONS, SPIN, UNIMOLECULAR REACTION-RATES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1991EU59200025},
	author = {Kempton, J. R. and Senba, M. and Arseneau, D. J. and Gonzalez, A. C. and Garner, D. M. and Pan, J. J. and Fleming, Donald G. and Percival, P. W. and Brodovitch, J. C. and Leung, S. K.}
}
@article {6827,
	title = {MUONIUM FORMATION IN XENON AND ARGON UP TO 60 ATMOSPHERES},
	journal = {Hyperfine Interactions},
	volume = {65},
	number = {1-4},
	year = {1990},
	note = {ISI Document Delivery No.: EZ856Times Cited: 15Cited Reference Count: 265TH INTERNATIONAL CONF ON MUON SPIN ROTATION RELAXATION AND RESONANCEAPR 09-12, 1990OXFORD, ENGLAND},
	pages = {801-809},
	type = {Proceedings Paper},
	abstract = {Results of muon polarization studies in xenon and argon up to 60 atm are reported. In argon for pressures up to 10 atm, the muon polarization is best explained by an epithermal-charge exchange model. Above this pressure, the decrease in P(D) and increase in P(L) are ascribed to charge neutralization and spin exchange reactions, respectively, in the radiolysis track. Measurements with Xe/He mixtures with a xenon pressure of 1 atm indicate that the lost polarization in the pure xenon at this pressure is due to inefficient moderation of the muon. As the pressure in pure xenon is increased above 10 atm, we find that P(L) remains roughly constant and P(D) begins to increase. The lost fraction may be due to the formation of a XeMu Van der Waals type complex, while P(D) is ascribed to XeMu+ formation. This suggests that spur processes appear to be less important in xenon than in argon.},
	keywords = {CHARGE-EXCHANGE COLLISIONS, COMPETING PROCESSES, DEPOLARIZATION, GASES, HOT ATOM CHEMISTRY, HYDRATED ELECTRONS, LIQUIDS, POSITRONIUM, SPIN EXCHANGE, XE},
	isbn = {0304-3843},
	url = {<Go to ISI>://A1990EZ85600008},
	author = {Kempton, J. R. and Senba, M. and Arseneau, D. J. and Gonzalez, A. C. and Pan, J. J. and Tempelmann, A. and Garner, D. M. and Fleming, Donald G.}
}
@article {6889,
	title = {QUANTUM PHENOMENA AND SOLVENT EFFECTS ON ADDITION OF HYDROGEN ISOTOPES TO BENZENE AND TO DIMETHYLBUTADIENE},
	journal = {Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics},
	volume = {94},
	number = {11},
	year = {1990},
	note = {ISI Document Delivery No.: EU906Times Cited: 18Cited Reference Count: 4189TH GENERAL ASSEMBLY OF THE DEUTSCHE-BUNSEN-GESELLSCHAFT-FUR-PHYSIKALISCHE-CHEMIE ( ON THE 65TH BIRTHDAY OF THEODOR ACKERMANN ) : CHEMICAL ELEMENTAL REACTIONSMAY 24-26, 1990TUBINGEN, FED REP GERDEUT BUNSEN GESELL PHYS CHEM},
	month = {Nov},
	pages = {1224-1230},
	type = {Proceedings Paper},
	abstract = {Rate constants have been measured for the reaction of the light hydrogen isotope muonium with benzene and 2,3-dimethylbutadiene-1,3 in the gas phase and in several solvents. Comparison with H atom data reveals (1) appreciable kinetic isotope effects, (2) a strong contribution of tunnelling for the activated reaction with benzene, (3) encounter controlled reaction for Mu addition to the diene, (4) a mass dependence of the diffusion constant of hydrogen isotopes in solution, and (5) an enhancement of the rate constant in solution over that in the gas phase by a factor, except for water, of the inverse Ostwald solubility coefficient for hydrogen. The isotope-dependent reduction of the solvent effect in water is tentatively ascribed to the dynamics of the clathrate-like structure when the hydrogen atom reacts.},
	keywords = {ATOM, DIFFUSION, electron, ELEMENTARY REACTIONS, GASES, ISOTOPE EFFECTS, KINETICS, LIQUIDS, muonium, radicals, RATE CONSTANTS, solutions, WATER},
	isbn = {0005-9021},
	url = {<Go to ISI>://A1990EU90600008},
	author = {Roduner, E. and Louwrier, P. W. F. and Brinkman, G. A. and Garner, D. M. and Reid, I. D. and Arseneau, D. J. and Senba, M. and Fleming, Donald G.}
}
