Rolf Manne.The electronic structure of chlorine trifluoride: An approximate MO-LCAO-SCF calculation[J]. Theoretica Chimica Acta .1966(4)ELECTRONIC STRUCTURE OF CHLORINE TRIFLUORIDE. AN APPROXIMATE SCF CALCULATION. MANNE R THEOR CHIM ACTA 6: 312–19 (1966)...
Ab initio SCF and CI calculations using a double-zeta plus polarization basis set have been performed on the chlorine difluoride cation (CIF 2 +) and the anion (CIF 2 ) to determine their ground-state electronic structure. The CIF 2 + ion is predicted to have a strongly bent (C 2v) ...
To solve the question of writing down the electronic configuration of a chlorine atom and a chloride ion, we can follow these steps:Step 1: Determine the Atomic Number of Chlorine The atomic number of chlorine (Cl) is 17. This
ChemInform Abstract: ELECTRONIC STRUCTURES OF THE (η5‐C5H5)2TIL2 COMPLEXES (L = FLUORINE, CHLORINE, BROMINE, IODINE, AND METHYL)structure (organic substances)No abstract is available for this article.doi:10.1002/chin.198419076M. R. M. BRUCE...
Theoretical or Mathematical/ ab initio calculations aluminium band structure boron bromine chlorine deep levels fluorine hydrogen interstitials iodine lithium potassium rubidium semiconductor doping silicon compounds sodium total energy wide band gap semiconductors/ electronic structures group I elements group VII...
The electron configurations of silicon (14 electrons), phosphorus (15 electrons), sulfur (16 electrons), chlorine (17 electrons), and argon (18 electrons) are analogous in the electron configurations of their outer shells to their corresponding family members carbon, nitrogen, oxygen...
photoemission and x-ray absorption (XA) spectra of ${\mathrm{NaCuO}}_{2}$ in terms of an Anderson-impurity Hamiltonian including the band-structure effects of the oxygen sublattice and show that the XA results unambiguously indicate a negative value of the charge-transfer energy \ensuremath{...
Adsorption of chlorine and oxygen on cleaved InAs(110) surfaces: Raman spectroscopy, photoemission spectroscopy, and Kelvin probe measurements molecules with cleaved InAs(110) surfaces was investigated at room temperature. Ultraviolet photoemission spectroscopy, a Kelvin probe, and electric‐field... Smit...
MUONIC X-RAY INTENSITIES IN ISOELECTRONIC SERIES OF NEON AND ARGON P Bergem,F Bienz,G Torelli,... 被引量: 0发表: 1989年 Polarization of vacuum in a hydrogen-like relativistic atom: Hyperfine structure An analysis is made of the contribution of the polarization of vacuum to the hyperfine ...
Energy band structure and electronic transport properties of chlorine-doped polyaniline from ab initio calculationsPolyanilineAb initio calculationTransport propertiesAmorphous polyaniline emeraldine base has been investigated using atomistic classical molecular dynamics simulations. Initially, different sets of force...