@article {2500,
	title = {Subdiffraction-Limit Two-Photon Fluorescence Microscopy for GFP-Tagged Cell Imaging},
	journal = {Biophysical Journal},
	volume = {97},
	number = {12},
	year = {2009},
	note = {ISI Document Delivery No.: 532QVTimes Cited: 1Cited Reference Count: 33Li, Qifeng Wu, Sherry S. H. Chou, Keng C.},
	month = {Dec},
	pages = {3224-3228},
	type = {Article},
	abstract = {We report applications of two-photon excitation fluorescence (2PEF) microscopy with subdiffraction-limit resolution for green-fluorescent-protein-tagged cell imaging. The microscope integrates 2PEF microscopy and stimulated emission depletion microscopy in one microscope that has the benefits of both techniques: intrinsic three-dimensional resolution, confined photobleaching, and subdiffraction-limit resolution. The subdiffraction-limit resolution was demonstrated by resolving green-fluorescent-protein-tagged caveolar vesicles located within a distance shorter than the diffraction limit of a regular 2PEF microscope, which is similar to 250 nm even with the best optics. The full width at half-maximum of the effective point-spread function for the 2PEF microscope was estimated to be similar to 54 nm.},
	keywords = {CAVEOLAE, NANOSCOPY, PROTEIN, RESOLUTION, STATES, STED MICROSCOPY, STIMULATED-EMISSION-DEPLETION},
	isbn = {0006-3495},
	url = {<Go to ISI>://000272765400020},
	author = {Li, Q. F. and Wu, S. S. H. and Chou, K. C.}
}
@article {2539,
	title = {Very slow expansion of an ultracold plasma formed in a seeded supersonic molecular beam of NO},
	journal = {Physical Review A},
	volume = {79},
	number = {6},
	year = {2009},
	note = {ISI Document Delivery No.: 466XZTimes Cited: 2Cited Reference Count: 35Morrison, J. P. Rennick, C. J. Grant, E. R.},
	month = {Jun},
	pages = {7},
	type = {Article},
	abstract = {The double-resonant laser excitation of nitric oxide, cooled to 1 K in a seeded supersonic molecular beam, yields a gas of approximate to 10(12) molecules per cubic centimeter in a single selected Rydberg state. This population evolves to produce prompt free electrons, and a durable cold plasma of electrons and intact NO+ ions. This plasma travels with the molecular beam through a field-free region to encounter a grid. The atomic weight of the expansion gas controls the beam velocity and hence the flight time from the interaction region to the grid. Monitoring electron production as the plasma traverses this grid measures its longitudinal width as a function of flight time. Comparing these widths to the width of the laser beam that defines the initial size of the illuminated volume allows us to gauge the rate of expansion of the plasma. We find that the plasma created from the evolution of a Rydberg gas of NO expands at a small but measurable rate, and that this rate of expansion accords with the Vlasov equations for an initial electron temperature of T-e approximate to 7 K.},
	keywords = {3-BODY RECOMBINATION, COMPOUNDS, ELECTRONS, GASES, laser cooling, molecular beams, molecule-photon collisions, NEUTRAL PLASMAS, NITROGEN, Photoexcitation, PLASMA, plasma collision processes, positive ions, RATES, RYDBERG ATOMS, Rydberg states, STATES, TEMPERATURE, TEMPERATURES, VACUUM, Vlasov equation},
	isbn = {1050-2947},
	url = {<Go to ISI>://000267700100086},
	author = {Morrison, J. P. and Rennick, C. J. and Grant, E. R.}
}
@article {1386,
	title = {Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory},
	journal = {Journal of Computational Chemistry},
	volume = {27},
	number = {2},
	year = {2006},
	note = {ISI Document Delivery No.: 999IGTimes Cited: 3Cited Reference Count: 52},
	month = {Jan},
	pages = {163-173},
	type = {Article},
	abstract = {Spectroscopic constants of the ground and next seven low-lying excited states of diatomic molecules CO, N-2, P-2, and ScF were computed using the density functional theory SAOP/ATZP model, in conjunction with time-dependent density functional theory (TD-DFT) and a recently developed Slater type basis set, ATZP. Spectroscopic constants, including the equilibrium distances r(e), harmonic vibrational frequency omega(e), vibrational anharmonicity omega(e)x(e), rotational constant B-e, centrifugal distortion constant D-e, the vibration-rotation interaction constant alpha(e), and the vibrational zero-point energy E-n(0), were generated in an effort to establish a reliable database for electron spectroscopy. By comparison with experimental values and a similar model with an established larger Slater-type basis set, et-QZ3P-xD, it was found that this model provides reliably accurate results at reduced computational costs, for both the ground and excited states of the molecules. The over all errors of all eight lowest lying electronic states of the molecules under study using the effective basis set are r(e)(+/- 4\%), omega(e)(+/- 5\% mostly without exceeding +/- 20\%), omega(e)x(e)(+/- 5\% mostly without exceeding 20\%, much more accurate than a previous study on this constant of +/- 30\%), B-e(+/- 8\%), D-e(+/- 10\%), alpha(e)(+/- 10\%), and E-n(0)(+/- 10\%). The accuracy obtained using the ATZP basis set is very competitive to the larger et-QZ3P-xD basis set in particular in the ground electronic states. The overall errors in r(e), omega(e)x(e) and alpha(e) in the ground states were given by +/- 0.7, +/- 10.1, and +/- 8.4\%, respectively, using the efficient ATZP basis set, which is competitive to the errors of +/- 0.5, +/- 9.2, and +/- 9.1\%, respectively for those constants using the larger et-QZ3P-xD basis set. The latter basis set, however, needs approximately four times of the CPU time on the National Supercomputing Facilities (Australia). Due to the efficiency of the model (TD-DFT, SAOP and ATZP), it will be readily applied to study larger molecular systems. (c) 2005 Wiley Periodicals, Inc.},
	keywords = {Density Function Theroy, diatomic molecules, DIPOLE-MOMENT, ELECTRONIC-STRUCTURE, emission, EXCITATION-ENERGIES, excited, FREQUENCIES, GAUSSIAN-BASIS SETS, ground state, INDUCED POLARIZATION FUNCTIONS, ORBITALS, POTENTIALS, SPECTRA, spectroscopic constants, STATES, SURFACES},
	isbn = {0192-8651},
	url = {<Go to ISI>://000234382400005},
	author = {Falzon, C. T. and Chong, D. P. and Wang, F.}
}
@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 = {<Go to ISI>://000236796700031},
	author = {Viteri, C. R. and Gilkison, A. T. and Rixon, S. J. and Grant, E. R.}
}
@article {1316,
	title = {The 4051-angstrom band of C-3 ((A)over-tilde(1)Pi(u)-(X)over-tilde(1)Sigma(+)(g), 000-000): Perturbed low-J lines and lifetime measurements},
	journal = {Journal of Chemical Physics},
	volume = {122},
	number = {24},
	year = {2005},
	note = {ISI Document Delivery No.: 943DNTimes Cited: 5Cited Reference Count: 31},
	month = {Jun},
	pages = {8},
	type = {Article},
	abstract = {Rotational analyses have been carried out at high resolution for the 000-000 and 000-100 bands of the A (1)Pi(u)-X (1)Sigma(g)(+) transition of supersonic jet-cooled C-3. Two different spectra have been recorded for each band, using time gatings of 20-150 and 800-2300 ns. At the shorter time delay the spectra show only the lines observed by many previous workers. At the longer time delay many extra lines appear, some of which have been observed previously by [McCall Chem. Phys. Lett. 374, 583 (2003)] in cavity ring-down spectra of jet-cooled C-3. Detailed analysis of these extra lines shows that at least two long-lived states perturb the A (1)Pi(u), 000 state. One of these appears to be a (3)Sigma(u)(-) vibronic state, which may possibly be a high vibrational level of the b (3)Pi(g) state, and the other appears to be a P=1 state with a low rotational constant B. Our spectra also confirm the reassignment by McCall of the R(0) line of the 000-000 band, which is consistent with the spectra recorded towards a number of stars that indicate the presence of C-3 in the interstellar medium. Fluorescence lifetimes have been measured for a number of upper-state rotational levels. The rotational levels of the A (1)Pi(u) state have lifetimes in the range of 230-190 ns, decreasing slightly with J; the levels of the perturbing states have much longer lifetimes, with some of them showing biexponential decays. An improved value has been obtained for the nu(1) vibrational frequency of the ground state, nu(1)=1224.4933 +/- 0.0029 cm(-1). (c) 2005 American Institute of Physics.},
	keywords = {C3, CHAIN, EMISSION-SPECTRA, INTERSTELLAR C-3, MOLECULE, SPECTROSCOPY, STATES, TRANSITION, TRANSLUCENT SIGHT LINES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000230332400023},
	author = {Zhang, G. Q. and Chen, K. S. and Merer, A. J. and Hsu, Y. C. and Chen, W. J. and Shaji, S. and Liao, Y. A.}
}
@article {1083,
	title = {Augmenting basis set for time-dependent density functional theory calculation of excitation energies: Slater-type orbitals for hydrogen to krypton},
	journal = {Molecular Physics},
	volume = {103},
	number = {6-8},
	year = {2005},
	note = {ISI Document Delivery No.: 918XQTimes Cited: 23Cited Reference Count: 25},
	month = {Mar-Apr},
	pages = {749-761},
	type = {Article},
	abstract = {Attention is given to the dual nature of the time-dependent density functional theory approach for predicting excitation spectra, namely its theoretical basis in dynamic polarizability and its practical implementation in computer programs as a single configuration interaction. A procedure for generating diffuse functions to be added to standard Slater-type orbital basis sets for H to Kr is proposed and tested on ten close-shell molecules. The database for comparing the performance of standard and augmented basis sets consists of the 15 lowest transitions to valence and Rydberg-like states for each of the molecules. The results of this computational study are very encouraging. The addition of new augmenting functions improves the performance of standard basis sets significantly. For example, the new augmented TZP basis set, about the same size as the standard TZ2P set (and considerably smaller than the large QZ4P set), led to an average absolute deviation of 150 predicted excitation energies of only 0.12 eV from those obtained with the very large basis set called QZ3P-3DIFFUSE, compared to 0.83, 0.79, and 0.19 eV, for the standard TZP, TZ2P, and QZ4P sets, respectively. Similar augmenting functions for Gaussian-type orbital basis sets for H to Kr are also suggested.},
	keywords = {(HYPER)POLARIZABILITIES, BEHAVIOR, EXCHANGE-CORRELATION POTENTIALS, HARTREE-FOCK ORBITALS, INDUCED POLARIZATION FUNCTIONS, LOCAL-DENSITY, POLARIZABILITIES, SHAPE CORRECTIONS, STATES},
	isbn = {0026-8976},
	url = {<Go to ISI>://000228583300003},
	author = {Chong, D. P.}
}
@inbook {1136,
	title = {Dynamics and energetics of photoion-pair formation in HF/DF},
	booktitle = {DR2004: Sixth International Conference on Dissociative Recombination: Theory, Experiments and Applications},
	series = {Journal of Physics Conference Series},
	volume = {4},
	year = {2005},
	note = {ISI Document Delivery No.: BCE13Times Cited: 5Cited Reference Count: 23Proceedings Paper6th International Conference on Dissociative RecombinationJUL 12-16, 2004Mosbach, GERMANYDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND},
	pages = {267-271},
	publisher = {Iop Publishing Ltd},
	organization = {Iop Publishing Ltd},
	address = {Bristol},
	abstract = {Preliminary results of a high resolution coherent vacuum ultraviolet study of photoion-pair formation in HF/DF are reported. These results include threshold ion-pair production (TIPPS) and total photoion-pair yield spectra, which show sharp resonances due to predissociating Rydberg states. Detailed analysis of the spectra provides precise energies for the ion-pair thresholds, and insight into the mechanism for ion-pair formation.},
	keywords = {DF, DISSOCIATION, F2, HCL, HF, ION, PRODUCTION SPECTROSCOPY, STATES, THRESHOLD},
	isbn = {1742-6588},
	url = {<Go to ISI>://000228817000040},
	author = {Hu, Q. J. and Hepburn, J. W.},
	editor = {Wolf, A. and Lammich, L. and Schmelcher, P.}
}
@article {825,
	title = {The calculation of field shift effects in the rotational spectra of heavy metal-containing diatomic molecules using density functional theory: comparison with experiment for the Tl-halides and Pb-chalcogenides},
	journal = {Chemical Physics},
	volume = {298},
	number = {1-3},
	year = {2004},
	note = {ISI Document Delivery No.: 778AHTimes Cited: 11Cited Reference Count: 68},
	month = {Mar},
	pages = {205-212},
	type = {Article},
	abstract = {The electron densities at the Tl nucleus in T1X (where X = F, Cl, Br and I) and at the Pb nucleus in PbY (where Y = O, S, Se, Te) have been calculated using density functional theory. From these quantities the molecular field shift parameter, V-01(i) (i = Pb or Tl), in each diatomic molecule may be derived. The results show a good comparison with experimental data. In the course of this work various other spectroscopic constants have been calculated for these two classes of compounds and in so doing the performance of several model Hamiltonians and basis sets has been evaluated. Using the method developed here, field shift effects in a small number of other heavy metal-containing diatomic molecules have been evaluated and a tentative explanation for the trends observed is given. (C) 2003 Elsevier B.V. All rights reserved.},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, CORRECT ASYMPTOTIC-BEHAVIOR, CORRELATION-ENERGY, DUNHAM COEFFICIENTS, EXCHANGE-CORRELATION FUNCTIONALS, GENERALIZED GRADIENT APPROXIMATION, HYPERFINE CONSTANTS, ISOTOPE DEPENDENCE, ORDER, REGULAR APPROXIMATION, STATES},
	isbn = {0301-0104},
	url = {<Go to ISI>://000189216600022},
	author = {Cooke, S. A. and Gerry, M. C. L. and Chong, D. P.}
}
@article {824,
	title = {The rotational spectrum, nuclear field shift effects, Pt-195 nuclear spin-rotation constant, and electric dipole moment of PtSi},
	journal = {Journal of Molecular Spectroscopy},
	volume = {223},
	number = {2},
	year = {2004},
	note = {ISI Document Delivery No.: 771HGTimes Cited: 11Cited Reference Count: 52},
	month = {Feb},
	pages = {185-194},
	type = {Article},
	abstract = {The pure rotational spectrum of the X(1)Sigma(+) ground electronic state of platinum monosilicide has been measured for nine isotopomers. For the most abundant isotopomer, (PtSi)-Pt-194-Si-28, the J = 1-0 and the J = 2-1 transitions were recorded up to the fourth vibrationally excited state. The data set obtained enabled a multi-isotopomer fit to a Dunham-type expression and the constants Y-01, Y-02, Y-11, Y-21, and Y-31 were determined. In the process of fitting the data it was necessary to include Born-Oppenheimer breakdown correction terms and the values and significance of these terms are discussed. Strong evidence is presented indicating within the rotational spectrum the presence of field shift effects due to the finite size of the Pt nucleus. The nuclear spin-rotation constant, C-I(Pt-195) is found to be 30.98(157)kHz in the ground vibrational state. Hyperfine structure arising from the Si-29 nucleus was not observed. The measurement of Stark shifts in the rotational spectrum of PtSi has enabled the determination of the dipole moments for the (PtSi)-Pt-194-Si-28 and (PtSi)-Pt-196-Si-28 isotopomers. Published by Elsevier Inc.},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, CHARGE RADII, DEPENDENCE, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, EXCHANGE, HYPERFINE CONSTANTS, ISOTOPE, STATES, TRANSFORM MICROWAVE SPECTROSCOPY, WAVE SPECTRA},
	isbn = {0022-2852},
	url = {<Go to ISI>://000188779100010},
	author = {Cooke, S. A. and Gerry, M. C. L. and Brugh, D. J. and Suenram, R. D.}
}
@article {725,
	title = {The pure rotational spectra of the lanthanum monohalides, LaF, LaCl, LaBr, LaI},
	journal = {Journal of Molecular Spectroscopy},
	volume = {218},
	number = {2},
	year = {2003},
	note = {ISI Document Delivery No.: 673YVTimes Cited: 13Cited Reference Count: 51},
	month = {Apr},
	pages = {169-179},
	type = {Article},
	abstract = {Pure rotational spectra have been measured for all the major isotopomers of the lanthanum monohalides, LaF, LaCl, LaBr, and LaI, in their ground and (except for (LaBr)-Br-81) excited vibrational states. The spectra were observed with a cavity pulsed jet Fourier transform microwave spectrometer in the frequency range 5-24 GHz. The molecules were prepared by laser ablation of La metal and allowing the resulting plasma to react with SF6, Cl-2, Br-2, or CH3I precursor in an Ar carrier gas of the pulsed jet. For LaBr this is the first reported spectrum of any kind. Rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, and nuclear spin-rotation constants have been determined for all the molecules. Accurate equilibrium (r(e)) internuclear distances have given an indication of where the Born-Oppenheimer approximation is beginning to fail. From the centrifugal distortion constants and vibration-rotation (alpha(e)) constants good estimates of the harmonic vibration frequencies and bond dissociation energies have been obtained. The halogen nuclear quadrupole coupling constants indicate the molecules to be highly ionic. (C) 2003 Elsevier Science (USA). All rights reserved.},
	keywords = {CONSTANTS, DOUBLE-RESONANCE, ELECTRONIC-STRUCTURE, HYPERFINE-STRUCTURE, laser spectroscopy, MOLECULAR-BEAM, MONOIODIDE, NUCLEAR-QUADRUPOLE MOMENT, RF, STATES, TRANSFORM MICROWAVE SPECTROSCOPY},
	isbn = {0022-2852},
	url = {<Go to ISI>://000182609600003},
	author = {Rubinoff, D. S. and Evans, C. J. and Gerry, M. C. L.}
}
@article {635,
	title = {Threshold ion-pair production spectroscopy of HCl/DCl: Born-Oppenheimer breakdown in HCl and HCl+ and dynamics of photoion-pair formation},
	journal = {Journal of Chemical Physics},
	volume = {119},
	number = {17},
	year = {2003},
	note = {ISI Document Delivery No.: 733FHTimes Cited: 16Cited Reference Count: 31},
	month = {Nov},
	pages = {8938-8945},
	type = {Article},
	abstract = {Threshold ion-pair production spectroscopy (TIPPS) has been applied to two isotopomers, HCl and DCl. From the high-resolution TIPP spectra the ion-pair thresholds of the two molecules have been precisely measured. Combined with the known ionization energy of H(D) and the electron affinity of Cl, the difference between their bond dissociation energies is calculated, and therefore an experimental determination of the effect of Born-Oppenheimer breakdown on the dissociation limit of the ground state potential curve has been obtained. The difference in D-e for the two isotopomers was found to be: D-e(H-Cl)-D-e(D-Cl)=3.2+/-1.0 cm(-1). The bond energy for HCl was in agreement with our previous determination, D-0(H-Cl)=35748.2+/-0.8 cm(-1). These results are compared to a recent study of Born-Oppenheimer breakdown in HCl by Coxon and Hajigeorgiou, where high resolution spectroscopic data was used to fit Born-Oppenheimer breakdown correction terms for the intramolecular potential function. The present study also measured the high resolution spectra for photoion-pair production for HCl and DCl in the threshold region for ion-pair production (similar to86 nm). Although there is qualitative agreement between the current results and previous experimental and theoretical work, there are some important differences. The possible mechanism for ion-pair formation in HCl and DCl is discussed in light of these high resolution results. (C) 2003 American Institute of Physics.},
	keywords = {BAND SYSTEM, DCL, DEPENDENCE, DF, DISSOCIATION-ENERGY, HF, IONIZATION, MOLECULE, STATES, TIPPS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000185988900021},
	author = {Hu, Q. J. and Melville, T. C. and Hepburn, J. W.}
}
@article {479,
	title = {Fourier transform emission spectroscopy of a new (2)Phi-1(2) Delta system of VO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {211},
	number = {2},
	year = {2002},
	note = {ISI Document Delivery No.: 547WFTimes Cited: 11Cited Reference Count: 39},
	month = {Feb},
	pages = {279-283},
	type = {Article},
	abstract = {High-resolution emission spectra of VO have been recorded in the region 3400-19400 cm(-1) using a Fourier transform spectrometer. The molecules were observed from the reaction of VOCl3 with active nitrogen. Two new bands, with origins near 5539.46 and 5551.69 cm(-1), are assigned as the 0-0 bands of the (2)Phi(5/2)-(2)Delta(3/2) and (2)Phi(7/2)-(2)Delta(5/2) spin-orbit components (respectively) of a (2)Phi-1(2)Delta electronic transition of VO. A rotational analysis of both subbands has been carried out and spectroscopic constants have been extracted. The 1(2)Delta state is known from the previous analysis of the near infrared doublet transitions of VO and the new (2)Phi excited state has rotational constants very similar to those of another (2)Phi state observed previously [Merer et al., J. Mol. Spectrosc. 125, 465 (1987)]. (C) 2002 Elsevier Science (USA).},
	keywords = {BAND, OXIDES, PERTURBATIONS, ROTATIONAL STRUCTURE, SPECTRA, STATES, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://000175355100014},
	author = {Ram, R. S. and Bernath, P. F. and Davis, S. P. and Merer, A. J.}
}
@article {355,
	title = {The pure rotational spectrum, geometry and hyperfine constants of hafnium monosulfide, HfS},
	journal = {Journal of Molecular Spectroscopy},
	volume = {216},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 622VATimes Cited: 12Cited Reference Count: 47},
	month = {Nov},
	pages = {122-130},
	type = {Article},
	abstract = {{The pure rotational spectra of seven isotopomers of hafnium monosulfide have been measured for several vibrational states. For the most abundant isotopomer, (HfS)-Hf-180-S-32, the J = 1 - 0},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, DIATOMIC-MOLECULES, DIPOLE-MOMENTS, DUNHAM COEFFICIENTS, EMISSION-SPECTRUM, FOURIER-TRANSFORM SPECTROSCOPY, HIGH-RESOLUTION, ISOTOPE DEPENDENCE, MICROWAVE SPECTROSCOPY, STATES},
	isbn = {0022-2852},
	url = {<Go to ISI>://000179666700015},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {4792,
	title = {Noble gas-metal chemical bonding? The microwave spectra, structures, and hyperfine constants of Ar-CuX (X = F, Cl, Br)},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {21},
	year = {2000},
	note = {ISI Document Delivery No.: 315YCTimes Cited: 72Cited Reference Count: 40},
	month = {Jun},
	pages = {9363-9374},
	type = {Article},
	abstract = {The rotational spectra of the complexes Ar-CuF, Ar-CuCl, and Ar-CuBr have been observed in the frequency range 5-22 GHz using a pulsed-jet cavity Fourier transform microwave spectrometer. All the complexes are linear and rather rigid in the ground vibrational state, with the Ar-Cu stretching frequency estimated as similar to 200 cm(-1). Isotopic data have been used to calculate an r(0) structure for Ar-CuF, while for Ar-CuCl and Ar-CuBr partial substitution structures have also been obtained. To reduce zero-point vibrational effects a double substitution method (r(d)) has also been employed to calculate the structures of Ar-CuCl and Ar-CuBr. The Ar-Cu distance has been found to be rather short and to range from 2.22 Angstrom in Ar-CuF to 2.30 Angstrom in Ar-CuBr. Ab initio calculations at the MP2 level of theory model the geometries and stretching frequencies well and predict an Ar-Cu bond energy in Ar-CuF of similar to 47.3 kJ mol(-1). Large changes in the Cu nuclear quadrupole coupling constant on complex formation show that extensive charge rearrangement occurs upon formation of the complexes. This, in conjunction with the sizable dissociation energy, suggests that the Ar-Cu bonds in these complexes are weakly covalent. The rotational spectrum of CuF has also been reinvestigated to improve the hyperfine constants. (C) 2000 American Institute of Physics. [S0021-9606(00)00521-3].},
	keywords = {2ND, ARGON VANDERWAALS COMPLEX, ATOMS, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, ROTATIONAL SPECTRUM, STATES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000087139700021},
	author = {Evans, C. J. and Gerry, M. C. L.}
}
@article {4796,
	title = {Noble gas-metal chemical bonding: the microwave spectra, structures and hyperfine constants of Ar-AuF and Ar-AuBr},
	journal = {Physical Chemistry Chemical Physics},
	volume = {2},
	number = {18},
	year = {2000},
	note = {ISI Document Delivery No.: 353RKTimes Cited: 47Cited Reference Count: 33},
	pages = {3943-3948},
	type = {Article},
	abstract = {The rotational spectra of the complexes Ar-AuF and Ar-AuBr have been observed in the frequency range 7-22 GHz using a pulsed-jet cavity Fourier transform microwave spectrometer. Both complexes are linear and rather rigid in the ground vibrational state, with the Ar-Au stretching frequency estimated as similar to 200 cm(-1). Isotopic data have been used to calculate an r(0) structure for Ar-AuBr while for Ar-AuF only an estimation of the r(0) geometry could be made. Ab initio calculations at the MP2 level of theory model the geometries and stretching frequencies well and predict an Ar-Au bond energy in Ar-AuF of similar to 60 kJ mol(-1). The Au nuclear quadrupole coupling constant changes significantly on complex formation, indicating extensive charge arrangement. This in conjunction with the large dissociation energy and ab initio results show that the Ar-Au bonds in these complexes are weakly covalent in nature.},
	keywords = {ARGON, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, NQR, RAMAN, ROTATIONAL SPECTRUM, STATES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000089289100001},
	author = {Evans, C. J. and Rubinoff, D. S. and Gerry, M. C. L.}
}
@article {4795,
	title = {Noble gas-metal chemical bonds. Microwave spectra, geometries, and nuclear quadrupole coupling constants of Ar-AuCl and Kr-AuCl},
	journal = {Journal of the American Chemical Society},
	volume = {122},
	number = {25},
	year = {2000},
	note = {ISI Document Delivery No.: 332CBTimes Cited: 70Cited Reference Count: 41},
	month = {Jun},
	pages = {6100-6105},
	type = {Article},
	abstract = {The pure rotational spectra of Ar-AuCl and Kr-AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer. Both complexes have been found to be linear and are relatively rigid in their ground vibrational states. The noble gas-gold stretching frequencies have been estimated to be 198 and 161 cm(-1) for Ar-AuCl and Kr-AuCl, respectively. From the isotopic data obtained. ro structures have been calculated for both Ar-AuCl and Kr-AuCl, while a partial substitution (r(s)) structure has been obtained for Kr-AuCl. The Ar-Au distance has been found to be 2.47 Angstrom, while the Kr-Au distance is 2.52 Angstrom. Ab initio calculations have been performed at the MP2 level of theory on both complexes to obtain geometries, vibrational frequencies, and dissociation energies. The dissociation energies for Ar-AuCl and Kr-AuCl have been estimated to be 47 and 71 kJ mol(-1), respectively. The nuclear quadrupole coupling constant of Au has been found to change significantly on complex formation (to -259.8 MHz in Ar-AuCl, and -349.9 MHz in Kr-AuCl) from its value in the monomer unit (+9.6 MHz in AuCl), which is consistent with extensive charge rearrangement on formation of the complexes. This, in conjunction with the sizable dissociation energies, indicates that the Ar-Au and Kr-Au bonds are weakly covalent.},
	keywords = {ARGON, ATOMS, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS COMPLEXES, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, LASER-ABLATION, RAMAN, ROTATIONAL, SPECTRUM, STATES},
	isbn = {0002-7863},
	url = {<Go to ISI>://000088054900021},
	author = {Evans, C. J. and Lesarri, A. and Gerry, M. C. L.}
}
@article {4947,
	title = {Theoretical valence photoelectron and UV-visible absorption spectra of four stable conductive molecules obtained by MO calculations},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {73},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 284WKTimes Cited: 4Cited Reference Count: 31},
	month = {Jan},
	pages = {43-51},
	type = {Article},
	abstract = {Theoretical valence photoelectron and UV-visible absorption spectra of four stable conductive molecules (N, N{\textquoteright}-diphenyl-1,4-phenylenediamine (DPPD), p-quaterphenyl (PQP), 2, 3, 7, 8, 12, 13, 17, 18-octaethyl-21H, 23H-porphyrin (OEP), and 29H, 31H-phthalocyanine (PC)) have been obtained by semiempirical HAM/3 and ZINDO MO calculations, respectively. The Al K alpha photoelectron spectra were simulated using Gaussian lineshape functions of an approximate linewidth 0.10 E-k (E-k = E-k{\textquoteright} - WD), where E-k{\textquoteright} is the vertical ionization potential (VIP) of each MO and WD is a shift to account for sample work function and other energy effects, as stated in previous studies. The theoretical valence spectra of the four conductive compounds are in good accordance with the observed ones. The theoretical UV-visible absorption curves of DPPD, PQP, OEP, and PC were obtained after AM1 calculations with COSMO option to reflect solvent effects. The absorption curves as simulated with Gaussian lineshape functions of a constant linewidth of 0.003 eV. Correspond well to the observed spectra. For PC, the simulated spectrum which consists of 0.5 inner protonation (IP) and 0.5 outer protonation (OP) types for PC-ring shows much better agreement with the experimental spectrum in H2SO4 than the spectrum of either TP or OP type alone.},
	keywords = {HAM-3, MODEL, OLIGOMERS, PHTHALOCYANINES, POLYMERS, STATES, XPS},
	isbn = {0009-2673},
	url = {<Go to ISI>://000085355700005},
	author = {Takaoka, K. and Maeda, S. and Miura, H. and Otsuka, T. and Endo, K. and Chong, D. P.}
}
@article {4229,
	title = {Accurate density functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. IV. Application to isomers of C3H6O, C3H3NO, and C6H6},
	journal = {Journal of Chemical Physics},
	volume = {108},
	number = {21},
	year = {1998},
	note = {ISI Document Delivery No.: 108FRTimes Cited: 21Cited Reference Count: 62},
	month = {Jun},
	pages = {8950-8956},
	type = {Article},
	abstract = {The unrestricted generalized transition-state model using a gradient-corrected density functional was shown in previous papers to be a reliable procedure for calculating core-electron binding energies. Relativistic corrections were estimated. Recently, a more efficient basis was proposed and tested. The results indicated that the new scaled polarized valence triple-zeta basis performs as well as the much larger cc-pV5Z basis set. This procedure is followed in the present study of the known isomers of C3H6O, C3H3NO, and C6H6. The results demonstrate that x-ray photoelectron spectroscopy, complemented by accurate theoretical calculations, can indeed be used to help chemical analysis. (C) 1998 American Institute of Physics. [S0021-9606(98)00721-1]},
	keywords = {APPROXIMATION, ATOMS, ELECTRONEGATIVITY, ESCA, GAS, MICROWAVE-SPECTRUM, MOLECULES, PHOTOELECTRON-SPECTROSCOPY, PROTON AFFINITY, STATES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000075255900021},
	author = {Chong, D. P. and Hu, C. H.}
}
@article {3891,
	title = {(2)Pi-(X)over-tilde(2)Sigma(+) electronic bands of titanium methylidyne, TiCH, near 725 nm wavelength},
	journal = {Journal of Molecular Spectroscopy},
	volume = {181},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: WA945Times Cited: 24Cited Reference Count: 27},
	month = {Jan},
	pages = {168-179},
	type = {Article},
	abstract = {Electronic bands assigned to the linear TiCH and TiCD radicals have been recorded by laser-induced fluorescence in the 610-725 nm wavelength region, following the reaction of laser-ablated Ti atoms with methane under supersonic jet-cooled molecular beam conditions. Rotational analyses of high-resolution spectra have given the ground state substitution structure X(2) Sigma(+): r(g)(C-H) = 1.085 +/- 0.002 Angstrom: r(g)(Ti-C) = 1.7277 +/- 0.0003 Angstrom. The electronic upper state appears to be a very strongly perturbed (2) Pi start, with many extra rotational and vibrational levels appearing; it has nor barn possible to make vibrational assignments, though the Omega{\textquoteright} values have been established for some of the levels. Wavelength-resolved fluorescence spectra have given two of the three ground state vibrational frequencies: TiCH: nu(2)(bend) = 578 cm(-1), nu(3)(Ti-C stretch) = 855 cm(-1) TiCD: nu(2) = 442 cm(-1), nu(3) = 815 cm(-1) Vibrationally forbidden transitions to the ground state bending fundamental appear prominently in many of these spectra, as a result of strong vibronic coupling. No evidence for nu(1)(pi) (the C-Il stretching vibration) has been found. (C) 1997 Academic Press, Inc.},
	keywords = {EXCITATION SPECTRUM, FLUORESCENCE, FREQUENCY, MONOXIDE, PERTURBATIONS, RESONANCE, SPECTROSCOPY, STATES, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1997WA94500020},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3995,
	title = {Fourier-transform microwave spectroscopy of InF, InCl, and InBr, prepared using laser ablation},
	journal = {Journal of the Chemical Society-Faraday Transactions},
	volume = {93},
	number = {6},
	year = {1997},
	note = {ISI Document Delivery No.: WQ180Times Cited: 10Cited Reference Count: 43},
	month = {Mar},
	pages = {1053-1059},
	type = {Article},
	abstract = {High-resolution rotational spectra of InF, InCl, and InBr have been measured with a pulsed jet cavity Fourier-transform microwave spectrometer. Samples were prepared by vaporizing In with a pulsed Nd:YAG laser, and reacting the vapour with a precursor gas entrained in the Ne backing gas of the jet. Precise rotational and nuclear quadrupole coupling constants have been obtained for all these molecules, along with the first nuclear spin-rotation constants of InCl and InBr. The hyperfine coupling constants are discussed in terms of the electronic structures of the molecules.},
	keywords = {CONSTANTS, MONOFLUORIDE, PARAMETERS, PURE ROTATIONAL SPECTRUM, SPECTROMETER, STATES},
	isbn = {0956-5000},
	url = {<Go to ISI>://A1997WQ18000005},
	author = {Hensel, K. D. and Gerry, M. C. L.}
}
@article {4130,
	title = {The quadrature discretization method (QDM) in the calculation of the rotational-vibrational transitions in rare gas dimers},
	journal = {Theochem-Journal of Molecular Structure},
	volume = {391},
	number = {1-2},
	year = {1997},
	note = {ISI Document Delivery No.: WU757Times Cited: 3Cited Reference Count: 38},
	month = {Feb},
	pages = {131-139},
	type = {Article},
	abstract = {A discretization method referred to as the Quadrature Discretization Method (QDM) is employed for the determination of the rotational-vibrational states of the inert gas dimers. The QDM is based on the discretization of the wave function on a grid of points that coincide with the points of a quadrature. The quadrature is based on a set of non-classical polynomials orthogonal with respect to a weight function determined by the potential function in the Schroedinger equation. In this paper, the weight functions used in the solution of the Schroedinger equation are related to the ground state wavefunctions of the Morse potential that approximates the potential of interest. Calculations are carried out for vibrational energy levels for HF modelled with a Morse potential. Excellent agreement is obtained with the known spectrum of the Morse potential. The rate of convergence of the eigenvalues and the eigenfunctions of the Schroedinger equation is very rapid with this approach. The vibrational and rotational transitions for the rare gas dimers are calculated and compared with the results reported recently by Ogilvie and Wang (J. Mol. Struc., 291 (1993) 313). (C) 1997 Elsevier Science B.V.},
	keywords = {AR-XE, COEFFICIENTS, DISCRETE-VARIABLE REPRESENTATION, NE-KR, ORDINATE METHOD, POTENTIALS, quadrature discretion method, QUANTUM-MECHANICS, rare gas dimer, rotation-vibration, SCHRODINGER-EQUATION, Schroedinger equation, SPECTRA, STATES, TRANSITION},
	isbn = {0166-1280},
	url = {<Go to ISI>://A1997WU75700014},
	author = {Shizgal, B. D.}
}
@article {3774,
	title = {Microwave Fourier transform spectroscopy of perchloryl fluoride: (FClO3)-F-19-Cl-35/37-O-16 and (FClO2O)-F-19-Cl-35/37-O-16-O-18},
	journal = {Journal of Molecular Spectroscopy},
	volume = {175},
	number = {1},
	year = {1996},
	note = {ISI Document Delivery No.: TX208Times Cited: 18Cited Reference Count: 81},
	month = {Jan},
	pages = {120-132},
	type = {Article},
	abstract = {O-18-enriched, monolabeled perchloryl fluoride, (FClO2O)-F-19-Cl-35/37-O-16-O-18, has been synthesized. Its rotational spectrum has been studied in the 4-22 GHz region. In addition, the spectra of the symmetric isotopomers (FClO3)-F-19-Cl-35/37-O-16 have been reinvestigated. Rotational and centrifugal distortion constants, as well as chlorine nuclear quadrupole and chlorine and fluorine spin-rotation and spin-spin coupling constants, have been determined for the ground vibrational state. The ground state rotational data have been used to evaluate geometrical parameters. The harmonic force field has been refined. The results are compared with data of related molecules. (C) 1996 Academic Press. Inc.},
	keywords = {BANDS, BOND LENGTHS, COUPLING-CONSTANTS, FCLO3, FORCE-CONSTANTS, N-F, NU-2, ROTATIONAL SPECTRUM, SPECTROMETER, STATES},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1996TX20800017},
	author = {Muller, H. S. P. and Gerry, M. C. L.}
}
@article {3743,
	title = {Monitoring of the formation and removal of bulk, surface, and interfacial carrier traps on silicon(100)},
	journal = {Canadian Journal of Physics},
	volume = {74},
	year = {1996},
	note = {ISI Document Delivery No.: WU206Times Cited: 8Cited Reference Count: 177th Canadian Semiconductor Technology ConferenceAUG 14-18, 1995OTTAWA, CANADANatl Res Council CanadaSuppl. 1},
	pages = {S233-S238},
	type = {Proceedings Paper},
	abstract = {An RF probe was used to monitor the steady-state photo-generated carrier concentration in silicon with and without an oxide layer. The changes in this steady-state concentration during exposure to gaseous molecular and atomic species such as He, H-2, O-2, H, and O at temperatures between 25 and 450 degrees C are interpreted in terms of changes in the bulk silicon, interface, and exposed surface. The initial experiments established the relationship between the carrier concentration and the RF-probe signal, and distinguished between changes in the bulk, and on silicon surfaces and interfaces. It was found that in the case of hydrogen, bulk passivation and depassivation by H-2 can be observed only at elevated temperatures, with or without an oxide layer. H-atom depassivation can be observed at all temperatures and is irreversible at room temperature. The formation of an oxide layer by exposure to O atoms at 25 and 450 degrees C was followed, and the oxides formed were then treated in an attempt to create an SiO2/Si interface with an acceptable density of interfacial states.},
	keywords = {111 SI-SIO2 INTERFACE, ATOMIC-HYDROGEN, H-2, KINETICS, PASSIVATION, PB CENTERS, SI/SIO2 INTERFACE, STATES, TEMPERATURE},
	isbn = {0008-4204},
	url = {<Go to ISI>://A1996WU20600047},
	author = {Li, H. J. and Ogryzlo, E. A.}
}
@article {3600,
	title = {The near infrared electronic spectrum of tungsten methylidyne, WCH},
	journal = {Journal of Chemical Physics},
	volume = {105},
	number = {15},
	year = {1996},
	note = {ISI Document Delivery No.: VM554Times Cited: 19Cited Reference Count: 29},
	month = {Oct},
	pages = {6168-6182},
	type = {Article},
	abstract = {The laser excitation spectrum of tungsten methylidyne, WCH, has been recorded in the 12 000-15 400 cm(-1) region. A total of 14 vibronic bands of WCH and 16 bands of WCD have been observed in this region. Rotational analysis shows that the ground state is (X) over tilde 3/2((2) Delta), with the substitution structure r(0)(W=C)=1.7366(5) Angstrom and r(0)(C-H)=1.076(5) Angstrom. The excited vibronic levels have been assigned, on the basis of their WCH/WCD isotope shifts and their wavelength resolved fluorescence patterns, to three electronic states, (A) over tilde 3/2((2) Delta), (B) over tilde 1/2((2) Pi), and (C) over tilde 5/2(2 Phi), at 12 090, 13 392, and 14 110 cm(-1), respectively. The wavelength resolved fluorescence spectra have also established the low-lying vibrational levels of the ground state. The ground state bending fundamental lies at 660 cm(-1), while the W-C stretching frequency is 1006 cm(-1); the corresponding frequencies in WCD are 501 cm(-1) and 953 cm(-1), respectively. No evidence for the C-H stretching frequency has been found. Emission has also been observed to a low-lying electronic state, 813 cm(-1) above the (X) over tilde 3/2 state. The pattern of rotationally resolved emission to this state clearly indicates that it is a (4) Sigma(1/2) state. Its bending frequency is 612 cm(-1), and its W-C stretching frequency is 971 cm(-1), indicating a slightly longer bond length than in the (X) over tilde 3/2 state. High resolution cw laser spectra of the (0,0) bands of the two lowest excited electronic states [(A) over tilde 3/2((2) Delta) and (B) over tilde 1/2((2) Pi)] reveal a small splitting of the four principal tungsten isotopes (W-182, W-183, W-184, and W-186) which serves to confirm the presence of tungsten in the carrier. Hyperfine splitting associated with the W-183 nucleus (I = 1/2) has been observed for the (0,0) band of the (A) over tilde 3/2- (X) over tilde 3/2 system, allowing the electron configuration of the ground state to be elucidated. (C) 1996 American Institute of Physics.},
	keywords = {COMPLEXES, FREE-RADICALS, GAS-PHASE, HYPERFINE-STRUCTURE, LASER-INDUCED FLUORESCENCE, SPECTROSCOPY, STATES, SYSTEM, TRANSITION, ZNCH3},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1996VM55400009},
	author = {Barnes, M. and Gillett, D. A. and Merer, A. J. and Metha, G. F.}
}
@article {3601,
	title = {Rotational and hyperfine structure of some low-J lines in the A(3)Phi-X(3)Delta(0,0) band of TiO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {180},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: VV347Times Cited: 10Cited Reference Count: 10},
	month = {Dec},
	pages = {437-440},
	type = {Article},
	keywords = {SPECTROSCOPY, STATES, TITANIUM MONOXIDE},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1996VV34700027},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3221,
	title = {{ROTATIONAL AND HYPERFINE-STRUCTURE IN THE B(4)PI-X(4)SIGMA(-) (0,0) BAND OF VO AT 7900 ANGSTROM - PERTURBATIONS BY THE A(2)SIGMA(+)},
	journal = {Journal of Molecular Spectroscopy},
	volume = {170},
	number = {1},
	year = {1995},
	note = {ISI Document Delivery No.: QL001Times Cited: 28Cited Reference Count: 37},
	month = {Mar},
	pages = {94-130},
	type = {Article},
	abstract = {{The (0,0) band of the (BII)-I-4-X(4) Sigma(-) system of VO near 7900 Angstrom has been analyzed from Doppler-limited Fourier transform emission spectra, together with wavelength-resolved laser-induced fluorescence and sub-Doppler intermodulated fluorescence spectra. The (BII)-I-4},
	keywords = {laser spectroscopy, LINEAR MOLECULES, multiplicity, PARAMETERS, QUARTET, RESONANCE, SPECTRUM, STATES},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1995QL00100008},
	author = {Adam, A. G. and Barnes, M. and Berno, B. and Bower, R. D. and Merer, A. J.}
}
@article {2987,
	title = {ROTATIONAL STRUCTURE AND PERTURBATIONS IN THE BETA-4-PI-CHI-4-SIGMA- (1, 0) BAND OF VO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {163},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MW279Times Cited: 21Cited Reference Count: 25},
	month = {Feb},
	pages = {443-458},
	type = {Article},
	keywords = {CRO, FOURIER-TRANSFORM SPECTROSCOPY, laser spectroscopy, MOLECULES, PARAMETERS, STATES, SYSTEM, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1994MW27900012},
	author = {Cheung, A. S. C. and Hajigeorgiou, P. G. and Huang, G. and Huang, S. Z. and Merer, A. J.}
}
@article {2822,
	title = {MICROWAVE-SPECTRA OF METAL CHLORIDES PRODUCED USING LASER-ABLATION},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {5},
	year = {1993},
	note = {ISI Document Delivery No.: LU722Times Cited: 43Cited Reference Count: 29},
	month = {Sep},
	pages = {3320-3328},
	type = {Article},
	abstract = {An apparatus has been constructed to produce metal compounds using laser ablation and to investigate their rotational spectra with a microwave Fourier. transform (MWFT) cavity spectrometer. The first three such compounds that have been studied are silver chloride, aluminum (1) chloride, and copper (I) chloride, produced by ablation of silver, aluminum, and copper rods in the presence of chlorine gas, using a Q-switched Nd:YAG laser (532 nm). The high resolution and sensitivity available with the MWFT cavity spectrometer have permitted the first determination of nuclear spin-rotation coupling constants for AlCl and CuCl. These constants have been used to examine the electronic structures of the molecules. Values of the rotational and nuclear quadrupole coupling constants have also been improved for the three metal chlorides.},
	keywords = {ALCL, CUCL, ELECTRIC-DIPOLE MOMENTS, FOURIER-TRANSFORM SPECTROMETER, ROTATIONAL, SPECTRA, STATES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LU72200020},
	author = {Hensel, K. D. and Styger, C. and Jager, W. and Merer, A. J. and Gerry, M. C. L.}
}
@article {2712,
	title = {ROTATIONAL, FINE, AND HYPERFINE ANALYSES OF THE (0,0) BAND OF THE D(3)PI-X(3)DELTA SYSTEM OF VANADIUM MONONITRIDE},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {5},
	year = {1993},
	note = {ISI Document Delivery No.: LU722Times Cited: 42Cited Reference Count: 45},
	month = {Sep},
	pages = {3288-3303},
	type = {Article},
	abstract = {The VN molecule has been produced in a molecular beam apparatus using a laser vaporization source and its D3PI-X3DELTA (0,0) band has been studied by laser-induced fluorescence at low (approximately 0.1 cm-1) and sub-Doppler resolution (approximately 0.004 cm-1). Lifetimes of single rotational levels of the D3PI0 component have been measured and interpreted. Rotational, fine, and hyperfine structures in six of the nine subbands possible for a 3PI <{\textendash} 3DELTA transition have been recorded. Both states exhibit a rapid transition from case (a) {\textendash}> case (b) coupling cases, manifested by reversals in the Lande patterns of the hyperfine structure. The data have been reduced to a set of 35 molecular constants using a modified case (a(beta)) effective Hamiltonian in which two additional magnetic hyperfine parameters are required for each state. The distortions in the hyperfine structure are due almost entirely to second-order spin-orbit interaction between states arising from the same configuration. Analysis of the derived parameters indicates that the X3DELTA state is well represented by the single electron configuration ... 8sigma2 3pi4 9sigma1 1delta1, in which the 9sigma molecular orbital (MO) is a V 4s-4p hybrid (88\% V 4s) and the 1delta MO is-a pure V 3d orbital; the dominant configuration for the D3PI state is ... 8sigma2 3pi4 1delta1 4pi1, in which the 4pi MO is an antibonding orbital composed of at most 82\% V 3dpi. The isoconfigurational a 1DELTA and e 1PI states are calculated to lie 3390 and 2200 cm-1 above their respective high spin companions. The lambda doubling in the D3PI0 component has been interpreted in terms of spin-orbit interactions with the B3SIGMA- and d1SIGMA+ states, both states arising from the ... 8sigma2 3pi4 1delta2 configuration; the d1SIGMA+ state is known [Simard, Masoni, and Hackett, J. Mol. Spectrosc. 136, 44 (1989)] to lie 102 cm-1 above D3PI0, while the B3SIGMA- state probably lies about 8000 cm-1 below.},
	keywords = {ABINITIO, ELECTRONIC EMISSION SYSTEM, MOLECULES, NIOBIUM NITRIDE, PARAMETERS, RESONANCE, SPECTROSCOPY, SPECTRUM, STATES, TIN},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LU72200017},
	author = {Balfour, W. J. and Merer, A. J. and Niki, H. and Simard, B. and Hackett, P. A.}
}
@article {7133,
	title = {ELUCIDATION OF ELECTRONIC-STRUCTURE BY THE ANALYSIS OF HYPERFINE INTERACTIONS - THE MNH A 7-PI-X7-SIGMA+ (O,O) BAND},
	journal = {Journal of Chemical Physics},
	volume = {95},
	number = {3},
	year = {1991},
	note = {ISI Document Delivery No.: GA106Times Cited: 51Cited Reference Count: 34},
	month = {Aug},
	pages = {1563-1576},
	type = {Article},
	abstract = {{We present a complete analysis of the hyperfine structure of the MnH A 7-PI-X 7-SIGMA+ (0,0) band near 5680 angstrom, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the Mn-55 (I = 5/2) and H-1 (I = 1/2) nuclear spins are observed as well as Mn-55 electric quadrupole effects. The manganese Fermi contact interaction in the X 7-SIGMA+ state is the dominant contributor to the observed hyperfine splittings; the DELTA-F = 0},
	keywords = {MOLECULES, SPECTROSCOPY, SPECTRUM, STATES, TRANSITION-METAL HYDRIDES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1991GA10600016},
	author = {Varberg, T. D. and Field, R. W. and Merer, A. J.}
}
