TITLE

Revision of the experimental electron affinity of BO

AUTHOR(S)
Reinstra, Jonathan C.; Schaefer, Henry F.
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/15/1997, Vol. 106 Issue 19, p8278
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports on the revision of the experimental electron affinity of BO. Application of the theoretical methods of self-consistent field theory, single and double excitation configuration interaction (CISD), Davidson corrected CISD and the CCSD(T) method.
ACCESSION #
4228006

 

Related Articles

  • The electron affinities of PF and PF[sub 2]. Jiande Gu; Kaixian Chen // Journal of Chemical Physics;1/15/1998, Vol. 108 Issue 3, p1050 

    Examines the adiabatic electron affinities of phosphorus fluorides using self consistent field method. Theoretical methods applied in the investigation; Methods in agreement on electron affinities; Details on the basis set used in the study; Role of phosphorus atom in the phosphorus fluoride...

  • Self-consistent diffusion-controlled growth of nuclei from eutectic solutions. Kukushkin, S. A.; Sokolov, A. S. // Physics of the Solid State;Sep98, Vol. 40 Issue 9, p1467 

    A study is made of the dynamics of self-consistent motion and growth of spherical new-phase nuclei from a eutectic melt. The growth rate of nuclei is shown to be proportional to supersaturation in both components. Motion of a single nucleus in a concentration-gradient field and of a pair of...

  • Analysis of the bond energy of ScCO. Frey, Regina F.; Davidson, Ernest R. // Journal of Chemical Physics;5/15/1989, Vol. 90 Issue 10, p5541 

    In this paper, the self-consistent-field (SCF) and correlated bond energies in ScCO were examined. At the SCF level, the bond energy was determined to consist primarily of the s→d promotion energy of the metal, the CO distortion energy, and the SCF interaction energy which is the combined...

  • Michaelis–Menten kinetics at high enzyme concentrations Tzafriri, A.R. // Bulletin of Mathematical Biology;Nov2003, Vol. 65 Issue 6, p1111 

    The total quasi-steady state approximation (tQSSA) for the irreversible Michaelis–Menten scheme is derived in a consistent manner. It is found that self-consistency of the initial transient guarantees the uniform validity of the tQSSA, but does not guarantee the validity of the...

  • Ab initio study of the structure, cooperativity, and vibrational properties of the H2O: (HF)2 hydrogen bonded complex. Hannachi, Y.; Silvi, B.; Bouteiller, Y. // Journal of Chemical Physics;8/1/1992, Vol. 97 Issue 3, p1911 

    Ab initio self-consistent field (SCF) and MP2 calculations have been performed in order to investigate the structure, energetics, and spectroscopic properties of H2O: (HF)2. Two conformations of the 1:2 complex are energetically possible. On the one hand is a cyclic complex belonging to the C1...

  • Self-consistent integral equations for fluid pair distribution functions: Another attempt. Zerah, Gilles; Hansen, Jean-Pierre // Journal of Chemical Physics;2/15/1986, Vol. 84 Issue 4, p2336 

    We propose a new mixed integral equation for the pair distribution function of classical fluids, which interpolates continuously between the soft core mean spherical closure at short distances, and the hypernetted chain closure at large distances. Thermodynamic consistency between the virial and...

  • Melts of semiflexible diblock copolymer. Matsen, M. W. // Journal of Chemical Physics;5/15/1996, Vol. 104 Issue 19, p7758 

    Melts of semiflexible AB diblock copolymers are studied using the wormlike chain model and self-consistent-field theory. The diblocks considered here are symmetric in composition and in A- and B-block flexibility. Under these conditions, the microstructure formed is lamellar. We find that an...

  • Numerical self-consistent field study of tethered chains in ...solvent. Baranowski, R.; Whitmore, M.D. // Journal of Chemical Physics;6/15/1998, Vol. 108 Issue 23, p9885 

    Presents a numerical, self-consistent field study of tethered polymers in ...solvent. Examination of the properties; Characterization of the polymer and solvent; Factors determining the properties of tethered polymer layers; Ability of small angle neutron scattering and neutron reflectivity...

  • The Construction of Self-Consistent Models for Outflowing Stellar Envelopes. Bisnovatyi-Kogan, G. S.; Dorodnitsyn, A. V. // Astronomy Reports;Dec2001, Vol. 45 Issue 12, p995 

    The article presents self-consistent computations of the spherically symmetric envelope of a massive (M = 20M⊙) star whose envelope is flowing outward under the action of continuum radiation pressure. A system of equations describing the outflow for arbitrary optical depth, degree of...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

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

Try another library?
Sign out of this library

Other Topics