scholarly journals Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk

2011 ◽  
Vol 115 (23) ◽  
pp. 6028-6038 ◽  
Author(s):  
Debashree Ghosh ◽  
Olexandr Isayev ◽  
Lyudmila V. Slipchenko ◽  
Anna I. Krylov
Keyword(s):  
Ionization Energy ◽  
Vertical Ionization Energy

Solvation effect on the vertical ionization energy of adenine‐thymine base pair: From microhydration to bulk

2019 ◽  
Vol 120 (6) ◽  
Author(s):  
Madhubani Mukherjee ◽  
Soumi Haldar ◽  
Achintya K. Dutta
Keyword(s):  
Base Pair ◽  
Ionization Energy ◽  
Solvation Effect ◽  
Vertical Ionization Energy ◽  
Adenine Thymine

A theoretical treatment of nucleophilic reactivity in additions to carbonyl compounds. Role of the vertical ionization energy

1988 ◽  
Vol 110 (4) ◽  
pp. 1275-1279 ◽  
Author(s):  
Erwin. Buncel ◽  
Sason S. Shaik ◽  
Ik Hwan. Um ◽  
Saul. Wolfe
Keyword(s):  
Ionization Energy ◽  
Carbonyl Compounds ◽  
Theoretical Treatment ◽  
Vertical Ionization Energy ◽  
Nucleophilic Reactivity

g-HARTREE AB-INITIO CALCULATION OF ATOMIC IONIZATION ENERGY

1987 ◽  
Vol 48 (C9) ◽  
pp. C9-509-C9-512
Author(s):  
M. OHNO
Keyword(s):  
Ab Initio ◽  
Ionization Energy ◽  
Ab Initio Calculation ◽  
Atomic Ionization

An interpretation on the thermodynamic properties of liquid Pb–Te alloys

2020 ◽  
Vol 39 (1) ◽  
pp. 297-303
Author(s):  
Toru Akasofu ◽  
Masanobu Kusakabe ◽  
Shigeru Tamaki
Keyword(s):  
Thermodynamic Properties ◽  
Electron Affinity ◽  
Ionization Energy ◽  
Narrow Band ◽  
Structural Information ◽  
Lead Telluride ◽  
Liquid Lead ◽  
Metallic State ◽  
Ternary Solution ◽  
Conduction Electrons

AbstractThe bonding character of liquid lead telluride \text{PbTe} is thermodynamically investigated in detail. Its possibility as an ionic melt composed of cation {\text{Pb}}^{2+} and anion {\text{Te}}^{2-} is not acceptable, by comparing the ionization energy of \text{Pb} atom, electron affinity of \text{Te} atom and the ionic bonding energy due to the cation {\text{Pb}}^{2+} and anion {\text{Te}}^{2-} with the help of structural information. Solid lead telluride PbTe as a narrow band gap semiconductor might yield easily the overlapping of the tail of valence band and that of conduction one. And on melting, it becomes to an ill-conditioned metallic state, which concept is supported by the electrical behaviors of liquid Pb–Te alloys observed by the present authors. As structural information tells us about the partial remain of some sorts of covalent-type mono-dipole and poly-dipole of the molecule \text{PbTe}, all systems are thermodynamically explained in terms of a mixture of these molecules and cations {\text{Pb}}^{4+} and {\text{Te}}^{2+} and a small amount of the conduction electrons are set free from these elements based on the ternary solution model.

A model of how the thermal ionization energy of impurities in semiconductors depends on their concentration and compensation

1999 ◽  
Vol 33 (4) ◽  
pp. 402-406 ◽  
Author(s):  
N. A. Poklonskii ◽  
A. I. Syaglo ◽  
G. Biskupski
Keyword(s):  
Ionization Energy ◽  
Thermal Ionization ◽  
Impurities In Semiconductors

IONIZATION ENERGY AND IMPURITY BAND CONDUCTION OF SHALLOW DONORS IN n-GALLIUM ARSENIDE

1967 ◽  
Vol 45 (1) ◽  
pp. 119-126 ◽  
Author(s):  
J. Basinski ◽  
R. Olivier
Keyword(s):  
Ionization Energy ◽  
Impurity Band ◽  
Shallow Donor ◽  
Band Model ◽  
A Value ◽  
Transition Concentration ◽  
Temperature Electron ◽  
Two Band Model ◽  
Band Conduction ◽  
Made In

Hall effect and resistivity measurements have been made in the temperature range 4.2–360 °K on several samples of n-type GaAs grown under oxygen atmosphere and without any other intentional dopings. The principal shallow donor in this material is considered to be Si. All samples exhibited impurity-band conduction at low temperature. Electron concentrations in the conduction band were calculated, using a two-band model, and then fitted to the usual equation expressing charge neutrality. A value of 2.3 × 10−3 eV was obtained for the ionization energy of the donors, for donor concentration ranging from 5 × 1015 cm−3 to 2 × 1016 cm−3. The conduction in the impurity band was of the hopping type for these concentrations. A value of 3.5 × 1016 cm−3 was obtained for the critical transition concentration of the impurity-band conduction to the metallic type.

The ionization energy of KO2(X̃2A2) and dissociation energies of KO2 and KO2+

2002 ◽  
Vol 363 (1-2) ◽  
pp. 139-144 ◽  
Author(s):  
Edmond P.F Lee ◽  
Timothy G Wright
Keyword(s):  
Ionization Energy ◽  
Dissociation Energies

Comparison of Variational Solutions of the Thomas-Fermi Model in Terms of the Corrected Ionization Energy

1987 ◽  
Vol 42 (9) ◽  
pp. 943-947
Author(s):  
I. Agil ◽  
A. Alharkan ◽  
H . Alhendi ◽  
A. Alnaghmoosh
Keyword(s):  
Ionization Energy ◽  
Trial Function ◽  
Binding Energies ◽  
Initial Slope ◽  
Fermi Model ◽  
Thomas Fermi ◽  
Variational Solutions ◽  
Comparison Of The Results

It is shown that leading corrections, to the ionization energy, of many-electrons atom, can be expressed as leading corrections of initial slope of trial variational solutions of the Thomas-Fermi equation. Some variational solutions with different initial slopes are compared. A comparison of the results shows, that as far as the binding energies are concerned a trial function with its slope not close to the (negative) Baker’s constant may not be suited.

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