@article {1356,
title = {Collision-induced alignment of H2O+ drifting in helium},
journal = {Journal of Chemical Physics},
volume = {124},
number = {17},
year = {2006},
note = {ISI Document Delivery No.: 039QQTimes Cited: 0Cited Reference Count: 27},
month = {May},
pages = {8},
type = {Article},
abstract = {The collision-induced alignment of H2O+ drifting in helium is studied with a molecular dynamics method that has been extended to treat nonlinear rigid ions. Rotational distribution functions and averaged quantities are presented in terms of the rho formalism [M. Thachuk, Phys. Rev. A 72, 032722 (2005)], and it is shown that this description gives a very good agreement with simulation results. In addition to velocity and angular velocity autocorrelation functions, a velocity-angular velocity cross correlation function is introduced. This cross correlation function provides insight into the dynamical nature of the alignment mechanism. 2006 American Institute of Physics.},
keywords = {CROSS-SECTIONS, CYTOCHROME-C, ELECTROSTATIC FIELDS, IN-VACUO, INTRINSIC SIZE PARAMETERS, ION-MOTION, MOLECULAR-DYNAMICS, MONTE-CARLO-SIMULATION, POTENTIAL-ENERGY SURFACES, ROTATIONAL ALIGNMENT},
isbn = {0021-9606},
url = {://000237321700019},
author = {Chen, X. and Thachuk, M.}
}
@article {1616,
title = {Rovibrational characterization of X-2 Sigma(+) (BH+)-B-1 by the extrapolation of photoselected high Rydberg series in (BH)-B-11},
journal = {Journal of Chemical Physics},
volume = {124},
number = {14},
year = {2006},
note = {ISI Document Delivery No.: 032TDTimes Cited: 4Cited Reference Count: 31},
month = {Apr},
pages = {6},
type = {Article},
abstract = {Optical-optical-optical triple-resonance spectroscopy of (BH)-B-11 isolates high Rydberg states that form series converging to rotational state specific ionization potentials in the vibrational levels of (BH+)-B-11 from nu(+)=0 through 4. Limits defined by a comprehensive fit of these series to state-detailed thresholds yield rovibrational constants describing the X (2)Sigma(+) state of (BH+)-B-11. The data provide a first determination of the vibrational-rotational interaction parameter alpha(e)=0.4821 cm(-1) and a more accurate estimate of omega(e)=2526.58 cm(-1) together with the higher-order anharmonic terms omega(e)x(e)=61.98 cm(-1) and omega(e)y(e)=-1.989 cm(-1). The deperturbation and global fit of series to state-detailed limits also yield a precise value of the adiabatic ionization potential of (BH)-B-11 of 79 120.3 +/- 0.1 cm(-1), or 9.810 33 +/- 1x10(-5) eV. High precision is afforded here by the use of graphical analysis techniques, narrow-bandwidth laser systems, and an analysis of newly observed, high principal quantum number Rydberg states that conform well with Hund{\textquoteright}s case (d) electron-core coupling limit. (c) 2006 American Institute of Physics.},
keywords = {ABINITIO CALCULATIONS, ABSORPTION-SPECTRUM, BH, BORON, CONSTANTS, POTENTIAL-ENERGY SURFACES, STATES, SYSTEM, ULTRAVIOLET},
isbn = {0021-9606},
url = {://000236796700031},
author = {Viteri, C. R. and Gilkison, A. T. and Rixon, S. J. and Grant, E. R.}
}
@article {1283,
title = {Nonequilibrium distribution functions for general rigid bodies in axially symmetric environments},
journal = {Physical Review A},
volume = {72},
number = {3},
year = {2005},
note = {ISI Document Delivery No.: 969IRTimes Cited: 0Cited Reference Count: 20},
month = {Sep},
pages = {10},
type = {Article},
abstract = {A vector rho is introduced in such a manner that the equilibrium rotational distribution function for a general rigid body has a simple quadratic form both from a body-fixed and space-fixed frame of reference. It is shown that when considering nonequilibrium distribution functions, representations employing the components of rho generalize more easily than those employing the components of the angular momentum or angular velocity, and lead to forms with greater accuracy. The behavior of rho and its relation to the angular momentum of the system is explored in some detail. Comparisons are made with distribution functions generated from molecular dynamics simulations of H2O+ drifting in a helium bath gas under the influence of a uniform electric field.},
keywords = {ALIGNMENT, COLLISION CROSS-SECTIONS, HELIUM, IONS, MOBILITIES, MOLECULAR-DYNAMICS, POTENTIAL-ENERGY SURFACES, ROTATIONAL, SCATTERING, SUPERSONIC EXPANSIONS, VELOCITY},
isbn = {1050-2947},
url = {://000232228300102},
author = {Thachuk, M.}
}
@article {7172,
title = {KINETIC ISOTOPE EFFECTS IN GAS-PHASE MUONIUM REACTIONS},
journal = {Acs Symposium Series},
volume = {502},
year = {1992},
note = {ISI Document Delivery No.: JY550Times Cited: 16Cited Reference Count: 101},
pages = {111-137},
type = {Review},
abstract = {The study of the reaction dynamics of muonium (Mu), an ultralight isotope of hydrogen ((m)Mu/(m)H almost-equal-to 1/9), provides a sensitive measure of mass effects in chemical reactions. The remarkable mass difference between Mu and the other hydrogen isotopes produces large kinetic isotope effects, providing a rigorous test of calculated potential energy surfaces (PES) and reaction rate theories. The low Mu mass also necessitates careful consideration of quantum effects, i.e. tunneling in the reaction coordinate. A review of recent results in gas phase Mu chemistry is presented, including comparison with relevant H chemistry and calculated PESs, where available. The magnitude and direction of the kinetic isotope effect is shown to be a sensitive function of the PES, particularly the height and position of the saddle point.},
keywords = {+ HBR(DBR) ABSTRACTION, ACTION, ADDITION-REACTIONS, CALCULATIONS, CHARGE-EXCHANGE, COLLISIONS, LOW-TEMPERATURES, POTENTIAL-ENERGY SURFACES, PRESSURE-DEPENDENCE, RESONANCE, THERMAL RATE CONSTANTS, TRANSITION-STATE THEORY, TUNNELING PATHS},
isbn = {0097-6156},
url = {://A1992JY55000008},
author = {Baer, S. and Fleming, Donald G. and Arseneau, D. and Senba, M. and Gonzalez, A.}
}