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41.
Sean G. Bernath WalkerKeith William Hipel Takehiro Inohara 《Applied mathematics and computation》2012,218(12):6637-6647
Informative interrelationships between attitudes and preferences when formally studying a conflict within the framework of the Graph Model for Conflict Resolution are specified through the development of formal theorems. Specifically, the parallel nature of attitudes and preferences is illuminated to show how attitudes can provide a simple way to more effectively represent complex preference structures when decision makers hold concern for other decision makers’ interests. To illustrate this important property of attitudes, the Graph Model for Conflict Resolution is applied to the negotiation over the sale of a brownfield property both with and without attitudes. 相似文献
42.
43.
P.F. Bernath B. Pinchemel R.W. Field K. Möller T. Törring 《Journal of Molecular Spectroscopy》1981,88(2):420-423
Adiabatic corrections to the Born-Oppenheimer potential energy curve for the state of the hydrogen molecule has been computed using a 60-term variational wavefunction in the form of an expansion in elliptic coordinates and depending explicitly on the interelectronic distance. For three internuclear separations new Born-Oppenheimer energies are also given which represent corrections of the previously published values. For H2 the adiabatic correction to the dissociation energy amounts to 57.5 cm?1. The computed dissociation energies for H2, HD, and D2 are by 23–25 cm?1 smaller than the experimental values, the discrepancy being probably due to the convergence error of the Born-Oppenheimer potential. A few lowest vibrational levels and vibrational quanta have been calculated for H2, HD and D2, and compared with the experimental results. 相似文献
44.
The Fourier transform emission spectrum of NeH+ was observed. The (1, 0), (2, 1), and (3, 2) vibration-rotation bands of 20NeH+; the (1, 0) and (2, 1) bands of 20NeD+; and the (1, 0) band of 22NeH+ were recorded from a copper hollow-cathode discharge in neon and hydrogen. Molecular constants, including Born-Oppenheimer breakdown parameters, were extracted from the data. 相似文献
45.
Shayesteh A Gordon IE Appadoo DR Bernath PF 《Physical chemistry chemical physics : PCCP》2005,7(17):3132-3142
A detailed analysis of the high resolution infrared emission spectra of gaseous ZnH2 and ZnD2 in the 800-2200 cm(-1) spectral range is presented. The nu3 antisymmetric stretching fundamental bands of 64ZnH2, 66ZnH2, 67ZnH2, 68ZnH2, 64ZnD2, 66ZnD2 and 68ZnD2, as well as several hot bands involving nu1, nu2 and nu3 were rotationally analyzed, and spectroscopic constants were obtained. Rotational l-type doubling and l-type resonance, local perturbations, and Fermi resonances were observed in the vibration-rotation bands of both ZnH2 and ZnD2, and equilibrium vibrational frequencies (omega1, omega2 and omega3) were estimated. Using the rotational constants of the 000, 100, 01(1)0 and 001 vibrational levels, the equilibrium rotational constants (B(e)) of 64ZnH2 and 64ZnD2 were determined to be 3.600 269(31) cm(-1) and 1.801 985(25) cm(-1), respectively, and the associated equilibrium bond lengths (r(e)) are 1.524 13(1) angstroms and 1.523 94(1) angstroms, respectively. The difference between the r(e) values of 64ZnH2 and 64ZnD2 is about 0.01%, and is mainly due to the breakdown of the Born-Oppenheimer approximation. 相似文献
46.
Dufour DG Drummond JR McElroy CT Midwinter C Bernath PF Walker KA Evans WF Puckrin E Nowlan C 《The journal of physical chemistry. A》2005,109(39):8760-8764
Laboratory ozone absorption spectra were measured simultaneously in the visible (515-715 nm) and infrared (2070-2140 cm(-1)) spectral regions using SCISAT-1's MAESTRO (Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation) and ACE-FTS (Atmospheric Chemistry Experiment-Fourier Transform Spectrometer) spectrometers. An intercomparison of these measurements was used to assess the relative accuracy of HITRAN absolute line strengths, for which there was a 4% change between the 2000 and 2004 versions. Results reported here show that Chappuis band cross section strengths are more consistent with the HITRAN 2004 4.8 microm band line strengths than with the 2000 compilation. 相似文献
47.
Shayesteh A Appadoo DR Gordon IE Bernath PF 《Journal of the American Chemical Society》2004,126(44):14356-14357
Gaseous ZnH2 and ZnD2 have been discovered in an emission source that combines an electrical discharge with a high-temperature furnace. High-resolution infrared emission spectra of ZnH2 and ZnD2 have been recorded with a Fourier transform spectrometer, and the antisymmetric stretching fundamental bands of 64ZnH2 and 64ZnD2 were detected near 1889.4 and 1371.6 cm-1, respectively. Rotational analysis of the bands yielded r0 bond distances of 1.535 271(1) and 1.531 836(9) A for linear 64ZnH2 and 64ZnD2, respectively. 相似文献
48.
The emission spectrum of BN has been investigated in the 1800–9000 cm−1region using a Fourier transform spectrometer. BN was formed in a microwave discharge of He with a trace of BCl3and N2. The bands observed in the 3000–7800 cm−1interval have been assigned as theb1Π–a1Σ+transition, with the 0–0 band at 3513.99040(43) cm−1. This transition is analogous to theA1Πu–X1Σ+g(Phillips) system of the isoelectronic C2molecule. The rotational analysis of the 0–0, 1–1, 1–0, 2–1, 3–2, 2–0, 3–1, 4–2, and 4–1 bands has been obtained and the molecular constants for theb1Π anda1Σ+states have been determined. A local perturbation has been observed in thev= 1 vibrational level of theb1Π state nearJ= 18 caused by the interaction with thev= 3 vibrational level of thea1Σ+state. The principal equilibrium constants for thea1Σ+state are: ωe= 1705.4032(11) cm−1, ωexe= 10.55338(52) cm−1,Be= 1.683771(10), αe= 0.013857(16) cm−1, andre= 1.2745081(37) Å. Although theb1Π–a1Σ+transition has recently been seen in emission from boron nitride trapped in solid neon matrices [J. Chem. Phys.104,3143–3146 (1996)], our work represents the first observation of this transition of BN in the gas phase. 相似文献
49.
50.
Chowdhury PK Merer AJ Rixon SJ Bernath PF Ram RS 《Physical chemistry chemical physics : PCCP》2006,8(7):822-826
The (1,0) band of the A6sigma+-X6sigma+ electronic transition of CrH has been observed by laser-induced fluorescence following the reaction of laser-ablated Cr atoms with methanol under supersonic free-jet cooled conditions. Rotational assignments of the levels with N < or = 3 have been made by combination differences and dispersed fluorescence experiments on selected lines. These assignments complement those made from previously-recorded Fourier transform emission spectra, in which higher-N lines were assigned. The low-N rotational levels are extensively perturbed, presumably by levels of the a4sigma+, upsilon = 1 and B6pi, upsilon = 0 states. 相似文献