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Journal articles on the topic 'Rare gas matrix'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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1

Kedzierski, W., A. DiCarlo, and J. W. McConkey. "Rare gas matrix detector for molecular fragmentation studies." Journal of Physics: Conference Series 194, no. 14 (November 1, 2009): 142005. http://dx.doi.org/10.1088/1742-6596/194/14/142005.

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2

Fraenkel, Ruchama, and Yehuda Haas. "Molecular dynamics simulations of rare gas matrix deposition." Chemical Physics 186, no. 2-3 (September 1994): 185–204. http://dx.doi.org/10.1016/0301-0104(94)00160-x.

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3

BAER, M., G. BOUSQUET, P. M. DINH, F. FEHRER, P. G. REINHARD, and E. SURAUD. "DYNAMICS OF METAL CLUSTERS IN RARE GAS CLUSTERS." International Journal of Modern Physics B 21, no. 13n14 (May 30, 2007): 2439–48. http://dx.doi.org/10.1142/s0217979207043798.

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We investigate the dynamics of Na clusters embedded in Ar matrices. We use a hierarchical approach, accounting microscopically for the cluster's degrees of freedom and more coarsely for the matrix. The dynamical polarizability of the Ar atoms and the strong Pauli-repulsion exerted by the Ar -electrons are taken into account. We discuss the impact of the matrix on the cluster gross properties and on its optical response. We then consider a realistic case of irradiation by a moderately intense laser and discuss the impact of the matrix on the hindrance of the explosion, as well as a possible pump probe scenario for analyzing dynamical responses.

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4

Haas, Y., and U. Samuni. "REACTIONS IN RARE GAS MATRICES MATRIX AND SITE EFFECTS." Progress in Reaction Kinetics and Mechanism 23, no. 1 (March 1, 1998): 211–80. http://dx.doi.org/10.3184/007967498103165031.

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5

Borowski, A., and O. Kühn. "Tailoring model Hamiltonians for dihalogen—rare gas matrix problems." Theoretical Chemistry Accounts 117, no. 4 (November 8, 2006): 521–33. http://dx.doi.org/10.1007/s00214-006-0177-2.

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6

Crépin, C., and A. Tramer. "Rare-gas matrix as an infinite rare-gas cluster: a spectroscopic study of 9,10-dichloroanthracene in argon matrices." Chemical Physics Letters 170, no. 5-6 (July 1990): 446–50. http://dx.doi.org/10.1016/s0009-2614(90)87082-3.

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7

Laroui, B., O. Damak, O. Maillard, and C. Girardet. "HCl–rare gas van der Waals dimers trapped in rare gas matrix: Interpretation of the vibration–orientation spectrum." Journal of Chemical Physics 97, no. 4 (August 15, 1992): 2359–71. http://dx.doi.org/10.1063/1.463075.

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8

NAKATA, Munetaka. "Study of Tunneling Reaction by Rare-Gas Matrix-Isolation Methods." Journal of the Spectroscopical Society of Japan 47, no. 3 (1998): 119–28. http://dx.doi.org/10.5111/bunkou.47.119.

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9

Neugebauer, F., and V. May. "Photodissociation of rare gas isolated HCl: a density matrix approach." Chemical Physics Letters 289, no. 1-2 (June 1998): 67–75. http://dx.doi.org/10.1016/s0009-2614(98)00390-x.

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10

Rasanen, M., L. A. Heimbrook, and V. E. Bondybey. "Rare gas matrix studies of the products of vaporization of nickel." Journal of Molecular Structure 157, no. 1-3 (March 1987): 129–40. http://dx.doi.org/10.1016/0022-2860(87)87088-6.

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11

Geissinger, Peter, Thomas Giering, Wolfgang Richter, and Dietrich Haarer. "Doped Rare Gas Solids as Model Systems for Chromophore−Matrix Interactions." Accounts of Chemical Research 33, no. 3 (March 2000): 131–38. http://dx.doi.org/10.1021/ar980011l.

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12

Löwen, H. W., H. J. Jodl, A. Loewenschuss, and H. Däufer. "Raman studies on N2 – rare-gas mixed crystals." Canadian Journal of Physics 66, no. 4 (April 1, 1988): 308–15. http://dx.doi.org/10.1139/p88-047.

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Raman spectra of solid nitrogen and of mixed N2–rare gases (RG-Ar, Kr, Xe) are investigated over a concentration range as wide as allowed by the pertinent experimental conditions. Both the v(N2) and the lattice-mode region are studied. The effects of changes in RG impurity concentrations and temperature variations are described. Results are discussed in terms of "matrix effects," like frequency shifts, on one hand and "solid-state" effects, like resonance splitting of the vibrational transition, vibron–phonon coupling, and one- and two-phonon transitions, on the other.

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13

Fraenkel, Ruchama, and Yehuda Haas. "Trapping of guests in a rare gas matrix: A molecular dynamics simulation." Journal of Chemical Physics 100, no. 6 (March 15, 1994): 4324–28. http://dx.doi.org/10.1063/1.466314.

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14

TAKAYANAGI, MASAO. "Applications of the Low-Temperature Rare-Gas Matrix-Isolation Technique to Dye Molecules." Journal of the Spectroscopical Society of Japan 48, no. 3 (1999): 115–16. http://dx.doi.org/10.5111/bunkou.48.115.

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15

Lecoultre, Sylvain, Alexandre Rydlo, and Christian Félix. "Efficient trapping of silver cations in a rare gas matrix: Ag3+ in argon." Journal of Chemical Physics 126, no. 20 (May 28, 2007): 204507. http://dx.doi.org/10.1063/1.2741547.

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16

Geissinger, Peter, Thomas Giering, Wolfgang Richter, and Dietrich Haarer. "ChemInform Abstract: Doped Rare Gas Solids as Model Systems for Chromophore - Matrix Interactions." ChemInform 31, no. 22 (June 8, 2010): no. http://dx.doi.org/10.1002/chin.200022295.

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17

Taleb, A. M., and H. H. Mohammed. "Matrix effects on the absorption spectra of benzene trapped in rare gas matrices." Chemical Physics 97, no. 2-3 (August 1985): 391–96. http://dx.doi.org/10.1016/0301-0104(85)87047-6.

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18

Kador, L., P. Geissinger, and D. Haarer. "Effects of matrix correlations on inhomogeneous spectral distributions: rare-gas and polymeric systems." Journal of Luminescence 64, no. 1-6 (May 1995): 101–7. http://dx.doi.org/10.1016/0022-2313(95)00017-k.

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19

Bukshpan, S. "Mössbauer spectroscopy of trimethyl tin halide molecules matrix-isolated in solid rare gas." Chemical Physics Letters 177, no. 3 (February 1991): 269–71. http://dx.doi.org/10.1016/0009-2614(91)85028-u.

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20

Antsygina, T. N., O. V. Charkina, and M. I. Poltavskaya. "Heat capacity of 2D solid solution of diatomic molecules in rare gas matrix." Journal of Low Temperature Physics 138, no. 1-2 (January 2005): 379–84. http://dx.doi.org/10.1007/s10909-005-1581-z.

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21

Lee, Timothy J., Christopher E. Dateo, Mercedes Rubio, and Björn O. Roos. "An Accurate Quartic Force Field and Fundamental Frequencies for the Ozonide Anion: A Rare Positive Anharmonicity for the Antisymmetric Stretch." Collection of Czechoslovak Chemical Communications 68, no. 1 (2003): 189–201. http://dx.doi.org/10.1135/cccc20030189.

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The CCSD(T) method has been used to compute a highly accurate quartic force field and fundamental frequencies for all 16O and 18O isotopomers of the ozonide anion. The CCSD and CASPT2 methods have also been used to verify the reliability of the CCSD(T) fundamental frequencies. The computed fundamental frequencies are in agreement with gas-phase experiments, but disagree with matrix isolation experiments for the antisymmetric stretch, ν3. CASPT2 calculations show that the antisymmetric part of the O3- potential surface is sensitive to the external environment. It is concluded that the antisymmetric stretch exhibits a significant matrix shift in the matrix isolation experiments and that the matrix environment is not representative of the gas-phase environment for ozonide anion. It is hoped that the theoretical data provided here will aid in the interpretation of future high-resolution gas-phase experiments.

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22

Rouillé, Gaël, Tino Kirchhuebel, Marcel Rink, Marco Gruenewald, Jörg Kröger, Roman Forker, and Torsten Fritz. "Identification of vibrational excitations and optical transitions of the organic electron donor tetraphenyldibenzoperiflanthene (DBP)." Physical Chemistry Chemical Physics 17, no. 45 (2015): 30404–16. http://dx.doi.org/10.1039/c5cp03761a.

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23

Benjamin, Lim Tze Ying, Wai Loon Yam, Angeline Choo Choo Poh, Victor Ng, Sey Kiat Lim, and Kok Kit Ng. "Bacteria-ball in the urinary tract: a rare entity." BJR|case reports 6, no. 3 (September 2020): 20200039. http://dx.doi.org/10.1259/bjrcr.20200039.

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A bacterial mass in the urinary tract is a very rare entity. We report the first case of a bacterial ball within the urinary tract of a patient with diabetic cystopathy on long term urinary indwelling catheter. She presented with fever and gross haematuria. CT scan of abdomen and pelvis revealed a gas containing hyperdense mass within the bladder suspicious of bladder stone. The lesion was resected, and histopathology revealed a matrix of acellular materials with bacteria colony.

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24

Frankowski, Marcin, Alice M. Smith-Gicklhorn, and Vladimir E. Bondybey. "Spectroscopy of the XeC2 molecule in xenon, argon, and krypton matrices." Canadian Journal of Chemistry 82, no. 6 (June 1, 2004): 837–47. http://dx.doi.org/10.1139/v04-054.

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A self-igniting DC-electric discharge of C2H2 in Xe (matrix gas) or C2H2 and Xe in Ar or Kr (matrix gas) is used to produce and study the XeC2 molecule in these various rare gases at 12 K. Unlike in Ar and Kr, the well-known electronic spectra of C2 is completely absent in a Xe matrix. This together with annealing experiments in Ar matrices indicate that ground state Xe and C2 react uniquely and without a barrier to form the XeC2 molecule. The IR-active C-C stretch of this compound is found to be close to the C-C stretching frequency of the C2 anion, in excellent agreement with our density functional theoretical (DFT) calculations, which yield a XeCC singlet species bent by 148.6° and with substantial charge separation approaching Xe+C2 and a notably short (2.107 Å) XeC bond. The spectra of the Xe13C12C, Xe12C13C, and Xe13C13C species are also obtained and the isotopic shifts are in excellent agreement with the DFT predictions, although not sufficient to distinguish a bent from a linear structure. Numerous broad absorptions centered near 423 nm (in Xe) are observed, which are clearly due to the XeC2 molecule. Laser-induced fluorescence studies reveal a near-IR emission likely due to XeC2 but not yet understood. Infrared spectra in the Xe matrix reveal also formation of the HXeCCH molecule.Key words: matrix-isolation spectroscopy, rare gas compounds, charge transfer compounds, xenoncarbon bonds.

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25

Tian, Bao Hong, Yi Zhang, Yong Liu, and Feng Zhang Ren. "Internal Oxidation of Rare Earth Additive Accelerating Aluminized Layer on Copper Matrix." Advanced Materials Research 139-141 (October 2010): 685–88. http://dx.doi.org/10.4028/www.scientific.net/amr.139-141.685.

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The aluminizing treatment on the surface of commercial pure copper with addition of rare earth compound CeCl3 was carried out. The followed internal oxidation of the aluminized copper was also carried out in the industrial nitrogen gas flow. The influences of the aluminizing and internal oxidization processing time on the thickness, hardness profile and microstructure were investigated. Results show that the addition of rare earth oxide CeCl3 has great accelerating effect on the aluminizing and internal oxidation processing. The hardness of the surface Al2O3 dispersion hardened copper composite layer by means of internal oxidation with addition of rare earth compound is higher than that of the without addition. The internal oxidation mechanism of the aluminized layer on copper matrix is comprehensive processes of the oxygen inner-toward diffusion and localized internal oxidation of the inner-toward diffusion of aluminum.

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26

Mahjoubi, K., D. M. Benoit, N. E. Jaidane, M. Mogren Al-Mogren, and M. Hochlaf. "Understanding of matrix embedding: a theoretical spectroscopic study of CO interacting with Ar clusters, surfaces and matrices." Physical Chemistry Chemical Physics 17, no. 26 (2015): 17159–68. http://dx.doi.org/10.1039/c5cp01672j.

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Through benchmark studies, we explore the performance of PBE density functional theory, with and without Grimme's dispersion correction (DFT-D3), in predicting spectroscopic properties for molecules interacting with rare gas matrices.

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27

Mitsuishi, K., M. Song, K. Furuya, C. W. Allen, R. C. Birtcher, and U. Dahmen. "Effect of aspect ratio on phase changes of rare-gas precipitates in an Al matrix." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 206 (May 2003): 109–13. http://dx.doi.org/10.1016/s0168-583x(03)00694-3.

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28

Lakhlifi, A., and C. Girardet. "Vibrational relaxation of ND3 trapped in a rare gas matrix. A comparative study with NH3." Journal of Chemical Physics 89, no. 9 (November 1988): 5650–53. http://dx.doi.org/10.1063/1.455571.

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29

Fedrigo, S., W. Harbich, and J. Buttet. "MEDIA EFFECTS ON THE OPTICAL ABSORPTION SPECTRA OF SILVER CLUSTERS EMBEDDED IN RARE GAS MATRICES." International Journal of Modern Physics B 06, no. 23n24 (December 1992): 3767–71. http://dx.doi.org/10.1142/s0217979292001821.

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The optical absorption of small mass selected Agn -clusters (n=7, 11, 15, 21) embedded in solid Ar, Kr and Xe has been measured. The absorption spectra show 1 to 3 major peaks between 3 and 4.5 eV, depending on the cluster size. Changing the matrix gas Ar→Kr→Xe induces a redshift which is comparable for all sizes studied and does not affect the main structure of the absorption spectra. We propose a scheme to estimate the gas phase value of the absorption energies which is in fair agreement with an estimation obtained by a simple model based on a Drude metal.

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30

Ludlow, J. A., C. P. Ballance, J. M. Munoz Burgos, S. D. Loch, M. S. Pindzola, and D. C. Griffin. "R-matrix with pseudo-states calculations for electron-impact excitation and ionization of rare gas atoms." Journal of Physics: Conference Series 194, no. 4 (November 1, 2009): 042033. http://dx.doi.org/10.1088/1742-6596/194/4/042033.

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31

Bihary, Z., G. M. Chaban, and R. B. Gerber. "Vibrational spectroscopy and matrix-site geometries of HArF, HKrF, HXeCl, and HXeI in rare-gas solids." Journal of Chemical Physics 116, no. 13 (April 2002): 5521–29. http://dx.doi.org/10.1063/1.1455621.

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32

Ito, Fumiyuki, and Shinichi Hirabayashi. "Infrared spectroscopy of SO2 clusters in rare gas matrices revisited: Assignment of species in Ar matrix." Chemical Physics 358, no. 3 (April 2009): 209–18. http://dx.doi.org/10.1016/j.chemphys.2009.02.007.

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33

Smith, Alice M., Jürgen Agreiter, Martin Härtle, Cornelia Engel, and Vladimir E. Bondybey. "Rare gas matrix studies of absorption and fluorescence of reactive intermediates formed in discharges through acetylene." Chemical Physics 189, no. 2 (December 1994): 315–34. http://dx.doi.org/10.1016/0301-0104(94)00299-1.

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34

Bier, K. D., H. J. Jodl, and H. Däufer. "Raman spectroscopy of matrix-isolated hydrogen: I. Influence of matrices on defects." Canadian Journal of Physics 66, no. 8 (August 1, 1988): 708–15. http://dx.doi.org/10.1139/p88-117.

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The hydrogen molecule is treated as a model substance for matrix-isolation effects. Raman investigations are made concerning the influence of matrix material on the various modes of hydrogen. The opposite interaction, how the defect influences modes of the matrix, is the object of the following paper.For the doublet in the vibrational range of hydrogen in rare-gas solids, an assignment to Q1(0) and Q2(1) is made and well substantiated. In addition to matrix-shift considerations, temperature influences, ortho–para investigations, and aggregation effects, different sites are observable in the nonspherical matrices, N2 and O2, with a restriction of free rotation in nitrogen.

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35

Hishmeh, G. A., L. Cartz, F. Desage, C. Templier, J. C. Desoyer, and R. C. Birtcher. "Rare gas bubbles in muscovite mica implanted with xenon and krypton." Journal of Materials Research 9, no. 12 (December 1994): 3095–107. http://dx.doi.org/10.1557/jmr.1994.3095.

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Xenon and krypton have been implanted into muscovite mica at room temperature and at liquid nitrogen temperature. The behavior of the implanted Xe and Kr was followed by low-temperature transmission electron microscopy and energy dispersive x-ray analysis. An electron diffraction pattern of diffuse bands is observed at room temperature due to the presence of fluid rare gas and to noncrystalline mica. Visible cavities with diameters 10–300 nm formed in the Xe-implanted mica. Visible cavities in room-temperature Kr-implanted mica ranged from 5–50 nm in diameter. The gas pressures at room temperature in the cavities are estimated, assuming all of the implanted gas precipitated in cavities to be ∼10 MPa for Xe and ∼20 MPa for Kr. These pressures are considerably lower than found for rare gases implanted in metals and ceramics, but sufficient to liquefy the rare gases at room temperature. The Xe and Kr were observed by dark-field microscopy to form fcc crystalline solids within the cavities at temperatures below their triple points, with lattice parameters of a(xe) = 0.630 ± 0.0015 nm and a(Kr) = 0.565 ± 0.005 nm. The solid Xe within bubbles was unstable under the electron beam of the transmission electron microscope at temperatures above 80 K, while the solid Kr within bubbles was unstable at temperatures as low as 35 K. The crystalline mica matrix undergoes a transformation from a crystalline structure to an amorphous structure as a result of implantation.

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36

Kuş, Nihal, Archna Sharma, Igor Reva, Leszek Lapinski, and Rui Fausto. "Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde." Journal of Chemical Physics 136, no. 14 (April 14, 2012): 144509. http://dx.doi.org/10.1063/1.3701734.

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37

Becker, A. C., and Ulrich Schurath. "NBr (b1Σ+, a1Δ) in solid argon: Effect of the rare gas matrix on radiative and radiationless processes." Berichte der Bunsengesellschaft für physikalische Chemie 91, no. 11 (November 1987): 1238–41. http://dx.doi.org/10.1002/bbpc.19870911130.

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38

Ehrenfreund, P., L. D'Hendecourt, L. Verstraete, A. Leger, and W. Schmidt. "Search for the 4430 Å DIB in the Spectrum of Coronene." Symposium - International Astronomical Union 150 (1992): 135–36. http://dx.doi.org/10.1017/s0074180900089853.

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Polycyclic Aromatic Hydrocarbon (PAH) molecules have been proposed as candidates to explain the Diffuse Interstellar Bands (DIBs). We have performed laboratory measurements of coronene, using rare gas matrix isolation techniques and UV photolysis. Our aim was to search for a possible identification of the 4430 Å DIB, but also to provide data almost free from environmental band shifts and broadening, which can be used for astronomical identification of the species.

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39

Guenthard, H. H., T. K. Ha, and R. Gunde. "Static and dynamic aspects of matrix isolated molecules: Are molecules isolated in rare gas matrices really force free?" Journal of Molecular Structure 217 (March 1990): 143–50. http://dx.doi.org/10.1016/0022-2860(90)80357-p.

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40

Khriachtchev, Leonid, Mika Pettersson, and Markku Räsänen. "On self-limitation of UV photolysis in rare-gas solids and some of its consequences for matrix studies." Chemical Physics Letters 288, no. 5-6 (May 1998): 727–33. http://dx.doi.org/10.1016/s0009-2614(98)00295-4.

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41

Knight, Lon B., Devon Hill, Kenneth Berry, Robert Babb, and David Feller. "Electron spin resonance rare gas matrix studies of 12CO2−, 13CO2−, and C17O−2: Comparison with ab initio calculations." Journal of Chemical Physics 105, no. 14 (October 8, 1996): 5672–86. http://dx.doi.org/10.1063/1.472456.

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42

Breckenridge, W. H., M. D. Morse, and John G. McCaffrey. "A pair potentials study of matrix-isolated atomic zinc. II. Intersystem crossing in rare-gas clusters and matrices." Journal of Chemical Physics 109, no. 8 (August 22, 1998): 3137–44. http://dx.doi.org/10.1063/1.476905.

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43

Knight, Lon B., S. T. Cobranchi, B. W. Gregory, and G. C. Jones. "Rare gas matrix ESR investigations of 12CH3 63,65CuF, 13CH3 63,65CuF, H63,65CuF, and D63,65CuF generated by reactive laser vaporization." Journal of Chemical Physics 88, no. 2 (January 15, 1988): 524–32. http://dx.doi.org/10.1063/1.454179.

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44

Starace, Anthony F., and Tsin-Fu Jiang. "Transition-matrix theory for two-photon ionization of rare-gas atoms and isoelectronic ions with application to argon." Physical Review A 36, no. 4 (August 1, 1987): 1705–19. http://dx.doi.org/10.1103/physreva.36.1705.

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45

Starukhin, Aleksander, and Mikalai Kruk. "Distorted forms of metalloporphyrins probed by methods of highly resolved spectroscopy." Journal of Porphyrins and Phthalocyanines 13, no. 08n09 (August 2009): 957–63. http://dx.doi.org/10.1142/s1088424609001297.

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The spectral manifestations of the distorted forms of sterically unconstrained metallocomplexes of porphyrin in rare gas and Shpol'skii matrices at cryogenic temperatures were detected. The planar and two kinds of distorted conformations of the Mg - and Zn -porphyrins in rare gas matrices have been measured simultaneously in the fluorescence and phosphorescence spectra due to external heavy atom effect. The distinctly different frequencies of the vibronic transitions have been revealed for planar and distorted forms. In the phosphorescence spectra of the Pd -porphyrin the manifestation of the two forms in the ground state has been proven also, with one of them being planar and the other being saddle-type distorted. The ratio of the planar and non-planar forms was shown to depend on the deuteration of both meso-positions of the porphyrin and n-alkane matrix. The appearance of the out-of-plane modes in the phosphorescence spectra of the Pd - and Pt -porphyrin has been demonstrated.

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46

Krim, Lahouari, Xuefeng Wang, Laurent Manceron, and Lester Andrews. "Absorption Spectra of Ground-State and Low-Lying Electronic States of Copper Nitrosyl: A Rare Gas Matrix Isolation Study." Journal of Physical Chemistry A 109, no. 45 (November 2005): 10264–72. http://dx.doi.org/10.1021/jp053778l.

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47

Laursen, Sandra L., and Harry E. Cartland. "Multiplicity dependence of matrix‐induced frequency shifts for atomic transitions of the group 12 metals in rare gas solids." Journal of Chemical Physics 95, no. 7 (October 1991): 4751–55. http://dx.doi.org/10.1063/1.461750.

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48

Chen, Xiao Hong, Yan Li, Bao Hong Tian, Yi Zhang, Juan Hua Su, and Ping Liu. "Surface Aluminizing and Internal Oxidation of Cu-Al-Y Alloy." Key Engineering Materials 336-338 (April 2007): 2661–63. http://dx.doi.org/10.4028/www.scientific.net/kem.336-338.2661.

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A method of the aluminizing treatment on the surface of Cu-Al-Y alloy with addition of rare earth compound CeCl3 in 1173K was carried out. The followed internal oxidation of the aluminized Cu-Al-Y alloy was also carried out in the commercial nitrogen gas medium to generate Al2O3 dispersed hardening copper matrix composites. The hardness distribution in aluminized layer and microstructure were studied. Results show that the addition of rare earth oxide CeCl3 has great accelerating effect on the aluminizing, the aluminized layer deeper and uniform than that not add CeCl3 at the same condition. It is possible to generate Al2O3 particles dispersed hardening layer depth reached about 200μm in the surface of specimens with aluminizing and internal oxidation technique.

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49

Fridgen, Travis D., Xiaokui K. Zhang, J. Mark Parnis, and Raymond E. March. "Isomerization and Fragmentation Products of CH2Cl2and Other Dihalomethanes in Rare-Gas Matrices: An Electron Bombardment Matrix-Isolation FTIR Spectroscopic Study†." Journal of Physical Chemistry A 104, no. 16 (April 2000): 3487–97. http://dx.doi.org/10.1021/jp993162u.

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50

Knight, Lon B., Scott T. Cobranchi, John O. Herlong, and C. A. Arrington. "Laser vaporization generation of Al12C, Al13C, Al12C2, and Al13C2 for rare gas matrix electron spin resonance studies: Experimental–theoretical comparisons." Journal of Chemical Physics 92, no. 10 (May 15, 1990): 5856–66. http://dx.doi.org/10.1063/1.458355.

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