@article {2319,
	title = {Adsorption of small gas molecules onto Pt-doped single-walled carbon nanotubes},
	journal = {J. Phys. Chem. C},
	volume = {112},
	number = {19},
	year = {2008},
	note = {ISI Document Delivery No.: 297XATimes Cited: 15Cited Reference Count: 108Yeung, Charles See Liu, Lei Vincent Wang, Yan Alexander},
	month = {May},
	pages = {7401-7411},
	abstract = {<p>The adsorption of small gaseous molecules to the metal center in Pt-doped (5,5) single-walled carbon nanotubes has been explored within density functional theory. A model system consisting of a single Pt atom residing in the middle of a carbon nanotube with capping H atoms is used for our investigation. For all gases studied, the overall process of adsorption was found to be exothermic, where the affinity strongly depended on the orientation of the molecule. By examining the density of states and molecular orbitals of these nanotube-adsorbate complexes in comparison to the bare Pt-doped nanotube, we show that the electronic structure of these materials is strongly influenced by the presence of gases. Hence, we propose an application of Pt-doped single-walled carbon nanotubes as gas sensors and hope to motivate experimental work in this field.</p>},
	keywords = {AB-INITIO, COVALENT FUNCTIONALIZATION, ELECTRONIC-PROPERTIES, INTERMOLECULAR INTERACTIONS, LASER-ABLATION, NO, PLATINUM COMPLEXES, PT(111), SIDEWALL FUNCTIONALIZATION, TRANSITION-METAL},
	isbn = {1932-7447},
	url = {<Go to ISI>://000255649500014},
	author = {Yeung, C. S. and Liu, L. V. and Y. A. Wang*}
}
@article {1440,
	title = {The effects of chloride salts of some cations on the molecular organization of H2O. Towards understanding the Hofmeister series. II},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {79},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 097WCTimes Cited: 7Cited Reference Count: 42Koga, Yoshikata Katayanagi, Hideki Davies, James V. Kato, Hitoshi Nishikawa, Keiko Westh, Peter},
	month = {Sep},
	pages = {1347-1354},
	type = {Article},
	abstract = {We use the thermodynamic behaviour of I-propanol (1P) as a probe in ternary 1P-salt-H2O systems to elucidate the effect of a salt on the molecular organization of H2O. For salts, we have chosen CaCl2, NH4Cl, and (CH3)(4)NCl (TMAC). Having fixed the counter anion at Cl-, we compare here mainly the effects of chosen cations on H2O. Together with an earlier study on NaCl, we found that Ca2+, Na+, and NH4+ are hydrated by a number of H2O molecules and leave the bulk H2O away from the hydration shell unperturbed. The hydration numbers were found to be 6.4 +/- 1.6, and 1.2 +/- 0.4, for Ca2+ and NH4+, respectively with the hydration number 5.2 for Na+, the result of a simulation study, chosen as a reference. Thus, a salting out (also referred to as structure making, stabilizing, or kosmotropic) tendency would decrease in the order; Ca2+ > Na+ > NH4+. TMA(+), on the other hand, showed a more hydrophilic characteristics than the probing 1P. Thus, TMA(+) is rather chaotropic (salting in, structure breaking or destabilizing) within this methodology.},
	keywords = {AQUEOUS-SOLUTIONS, EXCESS CHEMICAL-POTENTIALS, HEAT-CAPACITIES, INTERMOLECULAR INTERACTIONS, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, TETRAALKYLAMMONIUM HALIDES, TETRAMETHYL UREA, THERMODYNAMIC APPROACH, WATER MIXTURES},
	isbn = {0009-2673},
	url = {<Go to ISI>://000241479100004},
	author = {Koga,Yoshikata and Katayanagi, H. and Davies, J. V. and Kato, H. and Nishikawa, K. and Westh, P.}
}
@article {1627,
	title = {Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol},
	journal = {Journal of Physical Chemistry A},
	volume = {110},
	number = {5},
	year = {2006},
	note = {ISI Document Delivery No.: 011VUTimes Cited: 15Cited Reference Count: 42},
	month = {Feb},
	pages = {2072-2078},
	type = {Article},
	abstract = {We investigated the effects of NaF, NaCl, NaBr, and NaI on the molecular organization of H2O by a calorimetric methodology developed by us earlier. We use the third derivative quantities of G pertaining to I-propanol (1P) in ternary 1P-asalt-H2O as a probe to elucidate the effects of a salt on H2O. We found that NaF and NaCl worked as hydration centers. The hydration numbers were 19 +/- 2 for NaF and 7.5 +/- 0.6 for NaCl. Furthermore, the bulk H2O away from the hydration shell was found unaffected by the presence of Na+, F-, and Cl-. For NaBr and NaI, in addition to the hydration to Na+, Br- and I- acted like a hydrophilic moiety such as urea. Namely, they formed a hydrogen bond to the existing H2O network and retarded the fluctuation nature of H2O. These findings were discussed with respect to the Hofmeister ranking. We suggested that more chaotropic anions Br- and I- are characterized as hydrophiles, whereas kosmotropes, F- and Cl-, are hydration centers.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, DIELECTRIC-SPECTROSCOPY, INTERMOLECULAR INTERACTIONS, LIQUID WATER, MIXING SCHEMES, NONELECTROLYTES, partial molar enthalpy, TERT-BUTYL ALCOHOL},
	isbn = {1089-5639},
	url = {<Go to ISI>://000235297400050},
	author = {Westh, P. and Kato, H. and Nishikawa, K. and Koga,Yoshikata}
}
@article {5094,
	title = {Additive effect of 1-propanol and 2-propanol on molecular organization of H2O in the water-rich region: Excess chemical potential, partial molar enthalpy and volume of 1-propanol in 1-propanol-2-propanol-H2O at 25 degrees C},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {74},
	number = {5},
	year = {2001},
	note = {ISI Document Delivery No.: 443WKTimes Cited: 16Cited Reference Count: 25},
	month = {May},
	pages = {809-816},
	type = {Article},
	abstract = {Excess chemical potential, mu (E)(1P), partial molar enthalpy, H-1P(E) and volume of 1-propanol, V-1P(E), were determined as a function of mole fraction of l-propanol, rip, in mixed solvents of aqueous 2-propanol with various initial mole fraction of 2-propanol, x(2P)(0). The 1-propanol-1-propanol interaction functions, H-1P-1P(E) equivalent to N(partial derivativeH(1P)(E)/partial derivativen(1P)), and V-1P-1P(E) equivalent to N(partial derivativeV(1P)(E)/ partial derivativen(1P)), were evaluated by graphical differentiation. The rip-dependence of all these quantities indicates that l-propanol and 2-propanol modify the molecular organization of H2O in the same and additive manner in the water-rich region. The additive effect of 1-propanol and that of 2-propanol are in the ratio of (0.07/0.08).},
	keywords = {25-DEGREES-C, AQUEOUS 2-BUTOXYETHANOL, ENTROPIES, fluctuations, INTERMOLECULAR INTERACTIONS, LYSOZYME, MIXING SCHEMES, MIXTURES, TERT-BUTANOL},
	isbn = {0009-2673},
	url = {<Go to ISI>://000169365200004},
	author = {Hu, J. H. and Chiang, W. M. D. and Westh, P. and Chen, D. H. C. and Haynes, C. A. and Koga,Yoshikata}
}
@article {5159,
	title = {A thermodynamic study of 1-propanol-glycerol-H2O at 25 degrees C: Effect of glycerol on molecular organization of H2O},
	journal = {Journal of Solution Chemistry},
	volume = {30},
	number = {11},
	year = {2001},
	note = {ISI Document Delivery No.: 514HPTimes Cited: 29Cited Reference Count: 36},
	month = {Nov},
	pages = {1007-1028},
	type = {Article},
	abstract = {The excess chemical potential, partial molar enthalpy, and volume of 1-propanol were determined in ternary mixtures of 1-propanol-glycerol-H2O at 25degreesC. The mole fraction dependence of all these thermodynamic functions was used to elucidate the effect of glycerol on the molecular organization of H2O. The glycerol molecules do not exert a hydrophobic effect on H2O. Rather, the hydroxyl groups of glycerol, perhaps by forming clusters via its alkyl backbone with hydroxyl groups pointing outward, interact with H2O so as to reduce the characteristics of liquid H2O. The global hydrogen bond probability and, hence, the percolation nature of the hydrogen bond network is reduced. In addition, the degree of fluctuation inherent in liquid H2O is reduced by glycerol perhaps by participating in the hydrogen bond network via OH groups. At infinite dilution, the pair interaction coefficients in enthalpy were evaluated and these data suggest a possibility that the interaction is mediated through H2O.},
	keywords = {1-propanol-glycerol-H2O, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, effect of glycerol on H2O, enthalpy of 1-propanol, ENTROPIES, excess chemical potential, fluctuations, interactions, INTERMOLECULAR, INTERMOLECULAR INTERACTIONS, MIXING SCHEMES, partial molar, PARTIAL MOLAR ENTHALPIES, partial molar volume of 1-propanol, TERT-BUTANOL, VOLUMES, WATER},
	isbn = {0095-9782},
	url = {<Go to ISI>://000173433400005},
	author = {Parsons, M. T. and Westh, P. and Davies, J. V. and Trandum, C. and To, E. C. H. and Chiang, W. M. and Yee, E. G. M. and Koga,Yoshikata}
}
@article {4958,
	title = {Interactions in D-fructose-1-propanol-H2O: the effect of D-fructose on the molecular organization of liquid H2O},
	journal = {Fluid Phase Equilibria},
	volume = {171},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 349EQTimes Cited: 5Cited Reference Count: 27},
	month = {May},
	pages = {151-164},
	type = {Article},
	abstract = {Densities of binary aqueous solutions of D-fructose (abbreviated as FR hereinafter) were determined in a much wider mole fraction range than available in literature. In contrast to hydrophobic solutes, the partial molar volume of FR, V-FR, does not show an initial decrease on increasing the mole fraction of FR, x(FR). In order to learn more about the effect of FR on the molecular organization of liquid H2O, the excess chemical potentials and partial molar enthalpy of 1-propanol (1P) were determined in ternary 1P-FR-H2O system. Namely, the detailed thermodynamic behaviour of 1P in the ternary system was used as a probe to elucidate the effect of FR on liquid H2O. In comparison with earlier results of the temperature dependence of tert-butanol (TBA)-TBA interaction functions, addition of FR seems to have a similar effect of temperature increase on the molecular organization of H2O. We suggest that addition of FR tends to decrease the global average of hydrogen bond probability of H2O. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, BUTYL ALCOHOL-SOLUTIONS, chemical potential, CHEMICAL-POTENTIALS, D-fructose-1-propanol-H2O, effect of beta-D-fructose on H2O, INTERMOLECULAR INTERACTIONS, MIXING SCHEME, PARTIAL MOLAR ENTHALPIES, partial molar enthalpy, TRANSITION, VOLUME, VOLUMES, WATER-RICH REGION},
	isbn = {0378-3812},
	url = {<Go to ISI>://000089031000011},
	author = {To, E. C. H. and Westh, P. and Trandum, C. and Hvidt, A. and Koga,Yoshikata}
}
@article {4613,
	title = {Excess partial molar enthalpy of 1-propanol in 1-propanol-NaCl-H2O at 25 degrees C: The effect of NaCl on molecular organization of H2O},
	journal = {Journal of Physical Chemistry B},
	volume = {103},
	number = {15},
	year = {1999},
	note = {ISI Document Delivery No.: 189YNTimes Cited: 23Cited Reference Count: 26},
	month = {Apr},
	pages = {2981-2983},
	type = {Article},
	abstract = {Excess partial molar enthalpies of l-propanol, H-1p(E), in 1-propanol-NaCl-H2O were measured directly, accurately, and in small increments in mole fraction of 1-propanol, x(1P), at 25 degrees C in the range x(NaCl) < 0.04 x(NaCl) is the mole fraction of NaCl. The enthalpic interaction function, H-1P-1P(E), between l-propanol molecules was then evaluated. H-1P-1P(E) is a convenient, model-free measure for the intermolecular interaction in terms of enthalpy. The behavior of these thermodynamic quantities was compared with that of the binary 1-propanol-H2O. Based on the knowledge accumulated in our laboratory on the binary aqueous l-propanol, the effect of NaCl on H2O became apparent. Our tentative conclusions are that (1) a NaCl molecule "binds" to seven or eight molecules of H2O on dissolving into H2O, and (2) the reminder of bulk H2O away from solute NaCl is not affected and stays almost the same as pure H2O.},
	keywords = {2-BUTOXYETHANOL, AQUEOUS SODIUM-CHLORIDE, CLUSTERS, EQUILIBRIUM, fluctuations, INTERMOLECULAR INTERACTIONS, LYSOZYME, SPECTROSCOPY, vibrational, VOLUMES, WATER},
	isbn = {1089-5647},
	url = {<Go to ISI>://000079934100023},
	author = {Matsuo, H. and To, E. C. H. and Wong, D. C. Y. and Sawamura, S. and Taniguchi, Y. and Koga,Yoshikata}
}
@article {4420,
	title = {Interactions in 1-propanol-urea-H2O: Chemical potentials, partial molar enthalpies, and entropies at 25 degrees C},
	journal = {Journal of Physical Chemistry B},
	volume = {102},
	number = {52},
	year = {1998},
	note = {ISI Document Delivery No.: 153MQTimes Cited: 27Cited Reference Count: 31},
	month = {Dec},
	pages = {10958-10965},
	type = {Article},
	abstract = {The excess partial molar enthalpies of I-propanol were determined in aqueous urea solutions. The total vapor pressures of 1-propanol-urea-H2O were also measured. The numerical analysis applied in a previous paper (J. Phys. Chem. B 1998, 102, 5182) was used to calculate partial pressures and, hence, the excess chemical potentials of each component. Thus, the excess partial molar entropies of l-propanol were obtained. From these partial molar quantities, the interaction functions between a pair of solute molecules were calculated following the method developed by us ( J. Phys. Chern. B 1996, 100, 5172). All these data seem to indicate that urea molecules lock into the hydrogen bond network of H2O, keep the connectivity of hydrogen bond intact, but reduce the degree of fluctuation that is characteristic of liquid water. I-Propanol molecules modify the hydrogen bond network in the same manner with or without urea, and hence the same amount of 1-propanol is required to break down the connectivity, i.e., the loss of hydrogen bond percolation. However, the H2O-mediated interaction between l-propanol solutes is weakened since the hydrogen bond fluctuation responsible for such an interaction is reduced by the presence of urea.},
	keywords = {AQUEOUS-SOLUTIONS, fluctuations, INTERMOLECULAR INTERACTIONS, KIRKWOOD-BUFF PARAMETERS, MIXING SCHEMES, MIXTURES, TERT-BUTYL ALCOHOL, UREA, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {1089-5647},
	url = {<Go to ISI>://000077837200040},
	author = {To, E. C. H. and Hu, J. H. and Haynes, C. A. and Koga,Yoshikata}
}
