@article {1604,
	title = {Novel method of measuring heat capacity of supercritical fluid using Peltier elements},
	journal = {Japanese Journal of Applied Physics Part 1-Regular Papers Brief Communications \& Review Papers},
	volume = {45},
	number = {1A},
	year = {2006},
	note = {ISI Document Delivery No.: 009YXTimes Cited: 2Cited Reference Count: 9},
	month = {Jan},
	pages = {269-273},
	type = {Article},
	abstract = {We present a simple and convenient method of measuring the heat capacity of a fluid sample at a high pressure. A heat-flux-type calorimeter containing a sample cell with a thin wall and small holes is placed in a high-pressure vessel filled with the fluid sample itself. A thermoelectric module serves as the heat pump and heat flow sensor by taking advantage of the Peltier and Seebeck effects, respectively. To obtain the total heat transferred from the measured raw data, we employ a new estimation technique with a least-squares method. The performance of the method is examined by the measurement of supercritical CO2. The temperature increase necessary for the measurement can be suppressed to less than 40 mK; such a small amount scarcely disturbs the state for a temperature- sensitive sample. This method is suitable for determining the heat capacities of supercritical fluids including the states relatively close to a critical point.},
	keywords = {CALORIMETER, CARBON-DIOXIDE, CO2, heat capacity, HIGH-PRESSURES, Peltier element, POINT, STATE, supercritical fluid, THERMAL-CONDUCTIVITY MEASUREMENT},
	isbn = {0021-4922},
	url = {<Go to ISI>://000235150700062},
	author = {Tozaki, K. and Kido, Y. and Koga,Yoshikata and Nishikawa, K.}
}
@article {4732,
	title = {Colloid-catalysed arene hydrogenation in aqueous/supercritical fluid biphasic media},
	journal = {Chemical Communications},
	number = {11},
	year = {2000},
	note = {ISI Document Delivery No.: 316JJTimes Cited: 59Cited Reference Count: 24},
	pages = {941-942},
	type = {Article},
	abstract = {Hydrogenation of arenes, including the lignin model compound 2-methoxy-4-propylphenol, has been effected using a Rh colloid in biphasic aqueous/supercritical ethane reaction media; this is the first successful example of an unsupported colloid-catalysed hydrogenation of a substrate in a supercritical fluid; the same reaction does not proceed in aqueous/supercritical carbon dioxide or ionic liquid/supercritical fluid media.},
	keywords = {CO2, micelles, MILD, model compounds, PRESSURES, rhodium, SOLUBLE METAL-COMPLEXES, SPECTROSCOPY, SUPERCRITICAL CARBON-DIOXIDE, SYSTEMS},
	isbn = {1359-7345},
	url = {<Go to ISI>://000087163600026},
	author = {Bonilla, R. J. and James, Brian R. and Jessop, P. G.}
}
@article {3312,
	title = {SIMULATION OF THE VALENCE X-RAY PHOTOELECTRON-SPECTRA OF 16 POLYMERS BY THE SEMIEMPIRICAL HAM/3 MO METHOD USING THE MODEL MOLECULES},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {68},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QP061Times Cited: 17Cited Reference Count: 40},
	month = {Feb},
	pages = {528-538},
	type = {Article},
	abstract = {The HAM/3 method was used to provide a better assignment of the valence X-ray photoelectron spectra of 16 polymers involving nitrogen, oxygen, fluorine, a glucose unit, and a benzene nucleus using the monomer, dimer or trimer model molecules without consideration of the contraction factor of the energy scale. The calculated A1 K alpha photoelectron spectra were obtained using Gaussian functions of a fixed approximate linewidth, 0.10 I-k and I-k=I-k{\textquoteright}-WD, where I-K{\textquoteright} is the vertical ionization potential of each MO and WD is an approximate shift to account for the work function of the sample and other energy (polarization energy and so on) effects. We assumed that WD corresponds to the shift that we must apply before we can compare the calculated spectrum for the single model molecule with the observed spectrum for the solid. The approximate linewidth corresponds to the experimental result that the inner valence spectra are broader. The theoretical spectra showed good agreement with the spectra of the polymers observed between 0-40 eV.},
	keywords = {CO2, CORE, ELECTRONIC-STRUCTURE, ENERGY-LEVELS, ESCA, HAM-3, N2O, POLYOXYMETHYLENE, SPECTROSCOPY, XPS SPECTRA},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1995QP06100014},
	author = {Endo, K. and Inoue, C. and Kaneda, Y. and Aida, M. and Kobayashi, N. and Chong, D. P.}
}
@article {2949,
	title = {ANALYSIS OF THE VALENCE X-RAY PHOTOELECTRON-SPECTRA OF 8 (-CH2-CHR-)(N) AND 2 (-CH2-C(CH3)R-)(N) POLYMERS BY THE SEMIEMPIRICAL HAM/3 MO METHOD USING THE TRIMER MODEL MOLECULES H-(-CH2-CHR-)(3)-H AND H-(-CH2-C(CH3)R-)(3)-H},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {67},
	number = {11},
	year = {1994},
	note = {ISI Document Delivery No.: PW118Times Cited: 13Cited Reference Count: 32},
	month = {Nov},
	pages = {2972-2979},
	type = {Article},
	abstract = {The valence X-ray photoelectron spectra of ten polymers [(-CH2-CHR-)(n) (R=C6H5, OCH3, COCH3, COOH, COOCH3, OCQCH(3), CONH2, C4H6NO (N-vinylpyrrolidone)) and (-CH2-C(CH3)R-)(n) (R=COOCH3 and CONH2)] were analyzed by a semi-empirical HAM/3 MO method using trimer model molecules [H-(-CH2-CHR-)(3)-H (R=C6H5, OCH3, COCH3, COOH, COOCH3, OCOCH3, CONH2, and C4H6NO (N-vinylpyrrolidone) and H-(-CH2-C(CH3)R-)(3)-H (R=COOCH3 and CONH2)], respectively. The calculated AlK alpha photoelectron spectra were obtained using Gaussian functions of a fixed approximate linewidth (0.10 I-k; I-k=I-k-Delta W, where I-k(,) is the vertical ionization potential of each MO and Delta W is an approximate shift to account for the work-function effects. We assumed that Delta W corresponds to the shift that we must apply before we could compare the calculated spectrum for a single model molecule with the observed spectrum for the solid. The theoretical spectra showed good agreement with the spectra of the polymers, as observed between 0-40 eV.},
	keywords = {CLUSTER-EXPANSION, CO2, ENERGY-LEVELS, HAM-3, IONIZATION SPECTRA, N2O, POLYOXYMETHYLENE, WAVEFUNCTION, XPS SPECTRA},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1994PW11800012},
	author = {Aida, M. and Kaneda, Y. and Kobayashi, N. and Endo, K. and Chong, D. P.}
}
@article {2756,
	title = {CALCULATED INFRARED INTENSITIES FOR THE BENDING MODE IN SOME SMALL LINEAR-MOLECULES},
	journal = {Chemical Physics Letters},
	volume = {210},
	number = {4-6},
	year = {1993},
	note = {ISI Document Delivery No.: LP038Times Cited: 20Cited Reference Count: 48},
	month = {Jul},
	pages = {443-447},
	type = {Article},
	abstract = {Density functional theory was used to compute electric dipole moment derivatives along bending coordinates for the linear molecules HCN, DCN, FCN, ClCN, CO2, OCS, CS2, N2O, C2H2, C2D2 and C2N2. The infrared intensities obtained in this way are in better agreement with experimental values than provided by earlier calculations.},
	keywords = {C2H2, CO2, DIPOLE-MOMENT DERIVATIVES},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1993LP03800024},
	author = {Chong, D. P. and Bree, A. V.}
}
@article {2730,
	title = {INSERTIONS OF HETEROCUMULENES INTO THE M-C SIGMA-BONDS OF CP-ASTERISK-M(NO)(ARYL)2 (M=MO, W) COMPLEXES},
	journal = {Organometallics},
	volume = {12},
	number = {10},
	year = {1993},
	note = {ISI Document Delivery No.: MC322Times Cited: 14Cited Reference Count: 32},
	month = {Oct},
	pages = {4234-4240},
	type = {Note},
	abstract = {{Treatment of the 16-valence-electron complexes Cp*M(NO)(aryl)2 (Cp* = eta5-C5Me5; M = Mo, W; aryl = phenyl (Ph), p-tolyl) with the heterocumulenes carbon disulfide, p-tolyl isocyanate, and carbon dioxide leads to the eta2-thiocarboxylate, eta2-amide-, and eta2-carboxylate-containing complexes, respectively, in 10-65\% isolated yields. Furthermore, Cp* W(NO) (eta2-S2C-Ph)(Ph) (1) reacts with trimethylphosphine to form Cp*W(NO)(eta2-S2C(PMe3)Ph)(Ph) (10), which contains a zwitterionic phosphonium betaine ligand. The solid-state molecular structure of 10-CH2Cl2 has been established by a single-crystal X-ray crystallographic analysis. Crystal data for Cp*W(NO)(eta2-S2C(PMe3)Ph)(Ph). CH2Cl2: monoclinic},
	keywords = {ALKYL, CARBON BONDS, CO2, H-BONDS, ORGANOMETALLIC NITROSYL CHEMISTRY, REACTIVITY, TUNGSTEN, WATER, X-ray structure},
	isbn = {0276-7333},
	url = {<Go to ISI>://A1993MC32200074},
	author = {Brouwer, E. B. and Legzdins,Peter and Rettig, S. J. and Ross, K. J.}
}
