@article {988,
	title = {Surface-induced ordering of nematics in an external field: The strong influence of tilted walls},
	journal = {Physical Review Letters},
	volume = {92},
	number = {18},
	year = {2004},
	note = {ISI Document Delivery No.: 818XNTimes Cited: 8Cited Reference Count: 19},
	month = {May},
	pages = {4},
	type = {Article},
	abstract = {Microscopic theory is used to investigate surface-induced order in a model nematic subjected to an external orienting field. The wall-particle interaction tends to orient particles perpendicular to the surface. It is shown that if the wall is tilted at similar to45degrees to the field, the reorientational effects can be an order of magnitude larger than those observed for perpendicular or parallel orientations. The surprising observation is associated with the breaking of a particular bulk symmetry. A possible practical application of the tilted geometry is briefly discussed.},
	keywords = {CONTACT, FLUID, LIQUID-CRYSTALS, ORNSTEIN-ZERNIKE EQUATION, PHASE, SUBSTRATE, TRANSITIONS},
	isbn = {0031-9007},
	url = {<Go to ISI>://000221277900033},
	author = {Sokolovska, T. G. and Sokolovskii, R. O. and Patey, G. N.}
}
@article {5081,
	title = {Solid-state NMR characterization of the mineral searlesite and its detection in complex synthesis mixtures},
	journal = {Inorganic Chemistry},
	volume = {40},
	number = {23},
	year = {2001},
	note = {ISI Document Delivery No.: 488JRTimes Cited: 5Cited Reference Count: 34},
	month = {Nov},
	pages = {5906-5912},
	type = {Article},
	abstract = {The mineral searlesite (NaBSi2O5(OH)(2)) was synthesized and characterized by H-1, B-11, Na-23, and Si-29 magic-angle spinning (MAS) NMR spectroscopy. From these spectra, the B-11 and Na-23 quadrupole coupling parameters and isotropic chemical shifts and the Si-29 chemical shift anisotropies have been precisely determined. These parameters are all consistent with the local environments obtained from the crystal structure for searlesite from X-ray diffraction, and they demonstrate that the synthetic sample has a high degree of both short- and long-range order. Furthermore, these anisotropic parameters are found to provide a unique fingerprinting of searlesite in complex mixtures where the presence of this mineral is not anticipated. This is demonstrated for product mixtures formed in attempts to incorporate boron in the structures of the layer silicates magadiite and kenyaite. These. mixtures have been investigated by B-11, Na-23, and Si-29 MAS NMR which clearly reveal that the samples are mixtures of searlesite and magadiite/kenyaite and that searlesite production consumes all of the boron in these synthesis mixtures. However, the Si-29 MAS NMR spectra of these mixtures indicate that the presence of boron in the reaction mixtures nevertheless has an important influence on the quality of the magadiite and kenyaite layer silicates produced.},
	keywords = {BORATE, BORON, ISOMORPHOUS SUBSTITUTION, LAYERED SILICATES, MAGADIITE, MAS NMR, QUADRUPOLAR NUCLEI, SATELLITE, SILICON, TRANSITIONS},
	isbn = {0020-1669},
	url = {<Go to ISI>://000171932500026},
	author = {Fyfe, C. A. and Skibsted, J. and Schwieger, W.}
}
@article {4945,
	title = {Multiple quantum and high-resolution NMR, molecular structure, and order parameters of partially oriented ortho and meta dimethyl-, dichloro-, and chloromethylbenzenes codissolved in nematic liquid crystals},
	journal = {Journal of Magnetic Resonance},
	volume = {144},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 313NCTimes Cited: 18Cited Reference Count: 62},
	month = {May},
	pages = {58-73},
	type = {Article},
	abstract = {We develop a strategy for analyzing complex nuclear magnetic resonance (NMR) spectra of several solutes codissolved in liquid-crystal phases. Spectral parameters of solutes m- or o-xylene were estimated by analyzing 2D multiple-quantum NMR spectra using a modified version of a least-squares fitting routine which adjusts chemical shifts, order parameters, structural parameters, and/or dipolar couplings independently. These estimates were used to facilitate analysis of the high-resolution spectra which contain resonances from many solutes. Calculated spectra of m- or o-xylene were subtracted from the experimental high-resolution spectra leaving resonances from the other solutes readily visible, Accurate spectral parameters of all codissolved solutes were determined from the high-resolution spectra. Order parameters and structural parameters (including vibrationally corrected parameters) of m- and o-xylene, m- and o-chlorotoluene, and m- and o-dichlorobenzene were calculated from the dipolar couplings. (C) 2000 Academic Press.},
	keywords = {ELECTRIC-DIPOLE INTERACTIONS, EXCITATION, INTERNAL-ROTATION, NUCLEAR-MAGNETIC-RESONANCE, orientational order, PHASE, POTENTIALS, SELECTIVE, SOLUTES, SOLVENTS, TRANSITIONS},
	isbn = {1090-7807},
	url = {<Go to ISI>://000087004900008},
	author = {Syvitski, R. T. and Burnell, E. E.}
}
@article {4817,
	title = {A semiclassical study of the photodissociation dynamics of a coupled two-surface model of HCl+ by an intense laser field in the long-wavelength limit},
	journal = {Journal of Chemical Physics},
	volume = {113},
	number = {6},
	year = {2000},
	note = {ISI Document Delivery No.: 344XTTimes Cited: 7Cited Reference Count: 39},
	month = {Aug},
	pages = {2124-2133},
	type = {Article},
	abstract = {The photodissociation of HCl+ on two coupled potential surfaces is studied in the long wavelength regime with a semiclassical method employing classical trajectories and a hopping algorithm. Dissociation probabilities, product kinetic energy distributions, and branching ratios are presented. In addition, two mechanisms are introduced to explain trends in these properties. One mechanism produces large product kinetic energies and is an extension to two-coupled surfaces of the "wagging tail" mechanism seen in a previous one-surface study [M. Thachuk and D. M. Wardlaw, J. Chem. Phys. 102, 7462 (1995)]. The other mechanism is an extended barrier-suppression mechanism and accounts for the bulk of the product kinetic energy distribution, and in particular rationalizes the low energy part of these distributions as well as the branching ratios. It is shown that most of the trajectories undergo at most one nontrivial hop before dissociating so that the dynamics is dominated by the motion near the barrier to dissociation. This provides a simple, intuitive model for understanding the overall dynamics. (C) 2000 American Institute of Physics. [S0021-9606(00)00130-6].},
	keywords = {ABOVE-THRESHOLD-DISSOCIATION, ALIGNMENT, COHERENT CONTROL, COULOMB EXPLOSION, H-2(+), HARMONIC-GENERATION, MOLECULAR-IONS, NM, ORDER, RESONANCE-ENHANCED IONIZATION, TRANSITIONS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000088786900011},
	author = {Gill, R. and Yanagawa, R. and Thachuk, M.}
}
@article {4417,
	title = {A semiclassical approach to intense-field above-threshold dissociation in the long wavelength limit. II. Conservation principles and coherence in surface hopping},
	journal = {Journal of Chemical Physics},
	volume = {109},
	number = {14},
	year = {1998},
	note = {ISI Document Delivery No.: 125BETimes Cited: 28Cited Reference Count: 24},
	month = {Oct},
	pages = {5747-5760},
	type = {Article},
	abstract = {This paper is a companion to our recently published semiclassical formalism for treating time-dependent Hamiltonians [J. Chem. Phys, 105, 4094 (1996)], which was applied to study the dissociation of diatomic ions in intense laser fields. Here two fundamental issues concerning this formalism are discussed in depth: conservation principles and coherence. For time-dependent Hamiltonians, the conservation principle to apply during a trajectory hop depends upon the physical origin of the electronic transition, with total energy conservation and nuclear momentum conservation representing the two limiting cases. It is shown that a]applying an inappropriate scheme leads to unphysical features in the kinetic energy of the dissociation products. A method is introduced that smoothly bridges the two limiting cases and applies the physically justified conservation scheme at all times. It is also shown that the semiclassical formalism can predict erroneous results if the electronic amplitudes for well-separated hops are added coherently. This is a fundamental problem with the formalism which leads to unphysical results if left unattended. Alternative schemes are introduced for dealing with this problem and their accuracies are assessed. Generalization of the well-known Landau-Zener formula to the time-dependent Hamiltonian case is derived, which allows one to significantly decrease the computational overhead involved with the numerical implementation of the semiclassical method. Finally, we show that in strong-field molecular dissociation a trajectory can {\textquoteright}{\textquoteright}surf" a moving avoided crossing. In this case the hopping probability is a sensitive function of the interference between two closely spaced avoided crossing regions. (C) 1998 American Institute of Physics.},
	keywords = {COULOMB EXPLOSION, DIATOMIC-MOLECULES, ENHANCED, H-2(+), IONIZATION, LASER FIELDS, MODEL, MOLECULAR-DYNAMICS, PHOTODISSOCIATION, QUANTUM DECOHERENCE, TRANSITIONS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000076216900008},
	author = {Thachuk, M. and Ivanov, M. Y. and Wardlaw, D. M.}
}
@article {3980,
	title = {Pulsed field gradient multiple-quantum MAS NMR spectroscopy of half-integer spin quadrupolar nuclei},
	journal = {Chemical Physics Letters},
	volume = {281},
	number = {1-3},
	year = {1997},
	note = {ISI Document Delivery No.: YP239Times Cited: 22Cited Reference Count: 32},
	month = {Dec},
	pages = {44-48},
	type = {Article},
	abstract = {Pulsed field gradients (PFGs) have been applied to select coherence transfer pathways in multiple-quantum (MQ) MAS NMR spectra of half-integer spin quadrupolar nuclei in rigid solids. Al-27 triple-quantum (3Q) MAS NMR spectra of the aluminophosphate molecular sieves VPI-5 and AlPO4-18 have been used to demonstrate the selection of the (0) {\textendash}> (3) {\textendash}> (-1) coherence transfer pathway using PFGs and no phase cycling. Compared to MQMAS experiments that employ phase cycling schemes, the main advantage of the PFG-MQMAS technique is its simplicity, which should facilitate the combination of MQMAS with other pulse sequences. (C) 1997 Elsevier Science B.V.},
	keywords = {ANGLE, ROTOR, SOLID-STATE NMR, TRANSITIONS},
	isbn = {0009-2614},
	url = {<Go to ISI>://000071256600006},
	author = {Fyfe, C. A. and Skibsted, J. and Grondey, H. and zu Altenschildesche, H. M.}
}
@article {2830,
	title = {EXCESS THERMODYNAMIC PROPERTIES OF MIXTURES OF 2-BUTOXYETHANOL AND WATER AT 25-DEGREES-C},
	journal = {Thermochimica Acta},
	volume = {228},
	year = {1993},
	note = {ISI Document Delivery No.: MT067Times Cited: 5Cited Reference Count: 11},
	month = {Nov},
	pages = {39-46},
	type = {Article},
	abstract = {Available measurements of thermodynamic properties (enthalpy, Gibbs free energy and volume) of mixtures of water with 2-butoxyethanol at 25-degrees-C are discussed, with emphasis on the concentration dependence of the excess functions, and on the role played by water. The data support the view that in the water-rich concentration range the nonpolar groups of the alcohol molecules introduce labile, highly cooperative, energy-low structures in water. At lower water concentrations, exposure of nonpolar groups to water appears to be minimized by formation of micellar-like alcohol structures.},
	keywords = {PARTIAL MOLAR ENTHALPIES, SYSTEMS, TRANSITIONS},
	isbn = {0040-6031},
	url = {<Go to ISI>://A1993MT06700006},
	author = {Hvidt, A. and Koga,Yoshikata}
}
@article {2881,
	title = {SYNTHESIS OF ISOTOPICALLY LABELED MONOMERS AND POLYMERS OF 4-HYDROXYBENZOIC ACID AND 6-HYDROXY-2-NAPHTHOIC ACID},
	journal = {Makromolekulare Chemie-Macromolecular Chemistry and Physics},
	volume = {194},
	number = {2},
	year = {1993},
	note = {ISI Document Delivery No.: KM057Times Cited: 5Cited Reference Count: 36},
	month = {Feb},
	pages = {649-663},
	type = {Article},
	abstract = {Synthesis and characterization of 4-acetoxybenzoic acid and 6-acetoxy-2-naphthoic acid, labelled with deuterium in the rings and with carbon-13 and oxygen-17 in the carboxyl-positions, and of the corresponding homo- and copolyesters, are described. Kinetic studies of high-temperature deuteration were performed on 6-hydroxy-2-naphthoic acid. Mass spectrometry provides information about the degree of labelling with H-2, C-13 and O-17. Composition and molecular weight of isotopically labelled polymers were monitored by H-1 NMR after digestion in basic methanol. The thermal behavior was investigated by differential scanning calorimetry and thermogravimetry.},
	keywords = {COPOLYESTERS, HYDROXYBENZOIC ACID, NMR, TRANSITIONS},
	isbn = {0025-116X},
	url = {<Go to ISI>://A1993KM05700024},
	author = {Niessner, N. and Muhlebach, A. and Lyerla, J. R. and Facey, G. A. and Fyfe, C. A.}
}
@article {7202,
	title = {A SPECTROSCOPIC VIEW OF INTERNAL-CONVERSION IN A SMALL POLYATOMIC MOLECULE - SUB-DOPPLER INTRACAVITY DYE-LASER SPECTROSCOPY OF THIOFORMALDEHYDE},
	journal = {Journal of Chemical Physics},
	volume = {97},
	number = {3},
	year = {1992},
	note = {ISI Document Delivery No.: JE891Times Cited: 4Cited Reference Count: 28},
	month = {Aug},
	pages = {1630-1637},
	type = {Article},
	abstract = {Intracavity dye laser spectroscopy has been used to obtain sub-Doppler spectra of selected rotational lines in the A approximately 1A2-X approximately 1A1 4(0)1 band of thioformaldehyde with very high resolution and sensitivity. Many of the spectra show extra lines due to perturbations involving high vibrational levels of the ground state. Most of the perturbations observed for K(a){\textquoteright} = 0 and 4 are found to correlate well with previous observations of anomalously long single rotational level fluorescence lifetimes and reduced quantum yields [J. Dunlop and D. J. Clouthier, J. Chem. Phys. 93, 6371 (1990)]. S1-S0 interaction matrix elements of 0.001-0.006 cm-1 are found for levels involved in simple two level perturbations. The large number of small random perturbations by levels of the ground state is indicative of the first stages of the onset of quantum chaos in a small molecule. Some larger perturbations in the rotational structure are also observed; these are caused by additional local interactions with levels of the nearby triplet state.},
	keywords = {A1A2 EXCITED-STATE, FORMALDEHYDE, lifetimes, MAGNETIC, OPTICAL DOUBLE-RESONANCE, ROTATION SPECTRUM, ROVIBRONIC LEVELS, SINGLET-TRIPLET PERTURBATIONS, TRANSITIONS, TRILET PERTURBATIONS, VISIBLE ABSORPTION SYSTEM},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1992JE89100003},
	author = {Clouthier, D. J. and Huang, G. and Merer, A. J.}
}
