A high level theoretical investigation of the cyclic hydrogen fluoride trimer

Tschumper, Gregory S.; Yamaguchi, Yukio
June 1997
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9627
Academic Journal
Examines the results of the ab initio theoretical investigation of the cyclic hydrogen fluoride trimer. Optimization of the structure of the hydrogen fluoride monomer, dimer and trimer at the coupled-cluster level of theory; Geometrical parameters reported for each equilibrium structure.


Related Articles

  • Properties of Magnesium Oxo-Fluoride Supports for Metal Catalysts. Wojciechowska, M.; Wajnert, A.; Tomska-Foralewska, I.; Zieliński, M.; Czajka, B. // Catalysis Letters;Mar2009, Vol. 128 Issue 1/2, p77 

    A mixed MgF2–MgO system has been tested as a potential support of iridium catalysts in the hydrodesulfurization of thiophene. Samples of MgF2–MgO with different contents of MgO (0–100%) have been prepared by one-step sol–gel method in the reaction of magnesium...

  • Interstellar fluoride.  // Science Teacher;Oct97, Vol. 64 Issue 7, p14 

    States that astronomers have discovered trace amounts of hydrogen fluoride gas in the near vacuum of interstellar space. Implications of this discovery; Details on the gas cloud in which hydrogen fluoride molecules were discovered.

  • Hydrogen fluoride dodges a bullet. Begley, Ronald // Chemical Week;10/20/1993, Vol. 153 Issue 14, p20 

    Reports on the recommendation of the Environmental Protection Agency (EPA) regarding hydrogen fluoride (HF). Examination of need for additional regulatory or legislative control against worst-case scenarios; Sufficiency of current controls; Use of HF for gasoline reformulation; Plans of...

  • HFC Use Partnership Announced. Mazurkiewicz, Greg // Air Conditioning, Heating & Refrigeration News;5/6/2002, Vol. 216 Issue 1, p17 

    Focuses on the 'Responsible Use Principles for Hydrofluorocarbons (HFC)' program in Washington, D.C. Collaborators of the program; Purpose of the program; Citations on the principles of the responsible use program.

  • High-efficiency, high-energy operation of an intense electron beam initiated HF chemical laser using a mixture containing a heavy fluoride MoF6. Inagaki, Hirohito; Suda, Akira; Obara, Minoru // Applied Physics Letters;7/21/1986, Vol. 49 Issue 3, p122 

    High-efficiency and high-energy operation of HF chemical lasers was simultaneously realized using a low pressure mixture of H2/F2/O2/MoF6 initiated by an intense electron beam. The addition of small amounts of MoF6 gas to the mixture of H2/F2/O2 resulted in an increase in laser output energy and...

  • Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF. Piecuch, Piotr; Kucharski, Stanisław A.; Špirko, Vladimir; Kowalski, Karol // Journal of Chemical Physics;10/1/2001, Vol. 115 Issue 13, p5796 

    The recently proposed renormalized (R) and completely renormalized (CR) CCSD(T) and CCSD(TQ) methods, which remove the failing of the standard CCSD(T) and CCSD(TQ[sub f]) approaches at large internuclear separations, have been used to obtain the potential energy function and the vibrational...

  • Special Requirements Needed For HF Service. Olsztynski, Jim // Supply House Times;Apr2003, Vol. 46 Issue 2, p20 

    Focuses on the special requirements needed for hydrogen fluoride (HF) use in the U.S. Use of HF in alkylation process; Factors to consider in selecting the site for mixing chemicals; Emphasis on maintaining safe levels of HF.

  • Scattering dynamics in HF+He, Ne, and Ar: State-to-state cross sections, Dopplerimetry, and... Chapman, William B.; Weida, Miles J. // Journal of Chemical Physics;2/8/1997, Vol. 106 Issue 6, p2248 

    Reports on absolute state-to-state cross sections for rotationally inelastic scattering in crossed jets of hydrogen fluoride (HF) with helium, neon and argon at mean center-of-mass collision energies. Probe of column-integrated densities of HF in scattering states in the jet intersection region...

  • Influence of silicon oxide on the morphology of HF-etched Si(111) surfaces: Thermal versus.... Jakob, P.; Dumas, P.; Chabal, Y.J. // Applied Physics Letters;12/2/1991, Vol. 59 Issue 23, p2968 

    Reports on the influence of silicon oxide on the morphology of hydrogen fluoride-etched Si(111) surfaces. Dependence of the structure of the H-passivated surfaces on the nature of initial silicon-oxide layer; Comparison between the surfaces of thermal oxides and chemical oxides.


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics