@article {1544,
	title = {Automated estimation of white Gaussian noise level in a spectrum with or without spike noise using a spectral shifting technique},
	journal = {Applied Spectroscopy},
	volume = {60},
	number = {7},
	year = {2006},
	note = {ISI Document Delivery No.: 063UWTimes Cited: 0Cited Reference Count: 19Schulze, H. Georg Yu, Marcia M. L. Addison, Christopher J. Blades, Michael W. Turner, Robin F. B.},
	month = {Jul},
	pages = {820-825},
	type = {Article},
	abstract = {Various tasks, for example, the determination of signal-to-noise ratios, require the estimation of noise levels in a spectrum. This is generally accomplished by calculating the standard deviation of manually chosen points in a region of the spectrum that has a flat baseline and is otherwise devoid of artifacts and signal peaks. However, an automated procedure has the advantage of being faster and operator-independent. In principle, automated noise estimation in a single spectrum can be carried out by taking that spectrum, shifting a copy thereof by one channel, and subtracting the shifted spectrum from the original spectrum. This leads to an addition of independent noise and a reduction of slowly varying features such as baselines and signal peaks; hence, noise can be more readily determined from the difference spectrum. We demonstrate this technique and a spike-discrimination variant on white Gaussian noise, in the presence and absence of spike noise, and show that highly accurate results can be obtained on a series of simulated Raman spectra and consistent results obtained on real-world Raman spectra. Furthermore, the method can be easily adapted to accommodate heteroscedastic noise.},
	keywords = {ALGORITHM, automated noise determination, DETECTION LIMITS, limit of detection, NOISE, noise estimation, RAMAN, REMOVAL, signal-to-noise ratio, spectral noise, standard deviation},
	isbn = {0003-7028},
	url = {<Go to ISI>://000239046400016},
	author = {Schulze, H. G. and Yu, M. M. L. and Addison, C. J. and Blades, M. W. and Turner, R. F. B.}
}
@article {1544,
	title = {Automated estimation of white Gaussian noise level in a spectrum with or without spike noise using a spectral shifting technique},
	journal = {Applied Spectroscopy},
	volume = {60},
	number = {7},
	year = {2006},
	note = {ISI Document Delivery No.: 063UWTimes Cited: 0Cited Reference Count: 19Schulze, H. Georg Yu, Marcia M. L. Addison, Christopher J. Blades, Michael W. Turner, Robin F. B.},
	month = {Jul},
	pages = {820-825},
	type = {Article},
	abstract = {Various tasks, for example, the determination of signal-to-noise ratios, require the estimation of noise levels in a spectrum. This is generally accomplished by calculating the standard deviation of manually chosen points in a region of the spectrum that has a flat baseline and is otherwise devoid of artifacts and signal peaks. However, an automated procedure has the advantage of being faster and operator-independent. In principle, automated noise estimation in a single spectrum can be carried out by taking that spectrum, shifting a copy thereof by one channel, and subtracting the shifted spectrum from the original spectrum. This leads to an addition of independent noise and a reduction of slowly varying features such as baselines and signal peaks; hence, noise can be more readily determined from the difference spectrum. We demonstrate this technique and a spike-discrimination variant on white Gaussian noise, in the presence and absence of spike noise, and show that highly accurate results can be obtained on a series of simulated Raman spectra and consistent results obtained on real-world Raman spectra. Furthermore, the method can be easily adapted to accommodate heteroscedastic noise.},
	keywords = {ALGORITHM, automated noise determination, DETECTION LIMITS, limit of detection, NOISE, noise estimation, RAMAN, REMOVAL, signal-to-noise ratio, spectral noise, standard deviation},
	isbn = {0003-7028},
	url = {<Go to ISI>://000239046400016},
	author = {Schulze, H. G. and Yu, M. M. L. and Addison, C. J. and Blades, M. W. and Turner, R. F. B.}
}
@article {5173,
	title = {Microwave spectrum, structure, and hyperfine constants of Kr-AgCl: Formation of a weak Kr-Ag covalent bond},
	journal = {Journal of Molecular Spectroscopy},
	volume = {206},
	number = {1},
	year = {2001},
	note = {ISI Document Delivery No.: 428BNTimes Cited: 29Cited Reference Count: 38},
	month = {Mar},
	pages = {33-40},
	type = {Article},
	abstract = {The pure rotational spectrum of the complex Kr-AgCl has been measured between 8-15 GHz using a cavity pulsed-jet Fourier transform microwave spectrometer. The complex was found to be linear and relatively rigid, with a Kr-Ag bond length of similar to2.641 Angstrom. The Kr-Ag stretching frequency was estimated to be 117 cm(-1). Ab initio calculations performed at the MP2 level of theory gave the geometry, vibration frequencies, Kr-Ag bond dissociation energy, and orbital populations. The Kr-Ag bond dissociation energy was estimated to be -28 kJ mol(-1). The Kr-Ag force constant and dissociation energy are greater than those of Ar-Ag in Ar-AgCl. The chlorine nuclear quadrupole coupling constants show slight changes on complex formation. Ab initio orbital population analysis shows a small shift in sigma -electron density from Kr to Ag on complex formation. The combined experimental and ab initio results are consistent with the presence of a weak Kr-Ag covalent bond. (C) 2001 Academic Press},
	keywords = {ATOMS, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, LASER-ABLATION, RAMAN, ROTATIONAL SPECTRUM, STABILITY, TRANSITION-METAL COMPLEXES},
	isbn = {0022-2852},
	url = {<Go to ISI>://000168441400004},
	author = {Reynard, L. M. and 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 {4329,
	title = {A surface spectroscopic study of calcinated molybdenum-aluminum oxide model catalysts},
	journal = {Applied Surface Science},
	volume = {125},
	number = {3-4},
	year = {1998},
	note = {ISI Document Delivery No.: ZH199Times Cited: 7Cited Reference Count: 24},
	month = {Mar},
	pages = {293-299},
	type = {Article},
	abstract = {Supported molybdena model catalysts, prepared by wet deposition of ammonium molybdate on oxide-coated planar samples of aluminum, were studied especially as a function of calcination temperature (200, 350 and 450 degrees C). Characterizations by X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS) and secondary electron microscopy (SEM) indicate that the Mo disperses uniformly on the support at 450 degrees C. Observations of the Al(KLL) Auger peak, excited by bremsstrahlung radiation, and the corresponding Auger parameter, were taken to indicate the formation of a new surface bonding arrangement after calcination at this temperature. It is hypothesized that direct Mo-O-Al surface linkages are formed at 450 degrees C, and that this provides the driving force for the enhanced Mo dispersion observed. (C) 1998 Elsevier Science B.V.},
	keywords = {CO-MO-GAMMA-AL2O3, OXIDATION, RAMAN, THIN-FILMS, XPS},
	isbn = {0169-4332},
	url = {<Go to ISI>://000073082800005},
	author = {Leung, Y. L. and Flinn, B. J. and Wong, P. C. and Mitchell, K. A. R. and Smith, K. J.}
}
