Application of the stabilization method to the N - 2(1 2Pi g) and Mg - (1 2P) temporary anion states

JSY Chao, MF Falcetta… - Journal of Chemical …, 1990 - ui.adsabs.harvard.edu
A new variant of the stabilization method is described and used in conjunction with an
analytic continuation procedure to calculate the energies and lifetimes of the lowest energy …

[图书][B] Theoretical geochemistry: applications of quantum mechanics in the earth and mineral sciences

JA Tossell, DJ Vaughan - 1992 - books.google.com
This work is based on the observation that further major advances in geochemistry,
particularly in understanding the rules that govern the ways in which elements come …

Electron attachment to the fluoro‐, bromo‐, and iodomethanes studied by means of electron transmission spectroscopy and Xα calculations

A Modelli, F Scagnolari, G Distefano, D Jones… - The Journal of …, 1992 - pubs.aip.org
The electron transmission spectra of the fluoro~, bromo~, and iodomethanes (except CH2
F2) and of some monohaloalkanes are reported. The resonance energies for electron …

Elastic scattering of low-energy electrons by benzene

MHF Bettega, C Winstead, V McKoy - The Journal of Chemical Physics, 2000 - pubs.aip.org
We present elastic cross sections obtained from ab initio calculations for low-energy electron
scattering by benzene, C6H6. The calculations employed the Schwinger multichannel …

Electron scattering cross sections and negative ion states of silane and halide derivatives of silane

HX Wan, JH Moore, JA Tossell - Journal of Chemical Physics, 1989 - ui.adsabs.harvard.edu
The interaction of low-energy electrons with silane and its halogenated derivatives is a
fundamental step in many plasma chemical processes. The total scattering cross-section for …

Temporary anion states in the chloromethanes and in monochloroalkanes

M Guerra, D Jones, G Distefano, F Scagnolari… - The Journal of …, 1991 - pubs.aip.org
The resonance energies for electron attachment to the chloromethanes are evaluated by
means of bound and continuum multiple scattering Xα calculations. The results closely …

Low-energy electron capture in group 14 methyl chlorides and tetrachlorides: Electron transmission and dissociative electron attachment spectra and MS-Xα …

A Modelli, M Guerra, D Jones, G Distefano… - The Journal of chemical …, 1998 - pubs.aip.org
The electron transmission and dissociative electron attachment spectra in the series of
compounds (CH3) 4nMCln, with MC, Si, Ge, and Sn, are presented (except for the di-and …

Application of the stabilization method to temporary anion states of π-ligand transition-metal carbonyls in density functional theory

HY Cheng, JT Chang, CC Shih - The Journal of Physical …, 2010 - ACS Publications
In this paper, density functional theory is used to investigate (benzene) chromium
tricarbonyl,(cyclopentadienyl) manganese tricarbonyl,(1, 3-butadiene) iron tricarbonyl, and …

Potential energy curves for the HF− and CH3F− anions: a coupled cluster study

P Piecuch - Journal of molecular structure, 1997 - Elsevier
Very accurate ab initio calculations using the single-reference (SR) coupled cluster (CC)
theory were performed for HF, CH3F and their negative ions. The CC theory with singly and …

Electronic structure of tert-butyl halides and group 14 derivatives: Electron affinities and dissociative electron attachment

A Modelli, F Scagnolari, G Distefano, M Guerra… - Chemical physics, 1990 - Elsevier
Electron transmission (ET) and dissociative attachment (DA) spectroscopies are applied to
the tert-butyl halides and to derivatives where the central carbon atom is replaced by a …