Dissociative Photoionization of Sulfur Chlorides and Oxochlorides: Thermochemistry and Bond Energies Based on Accurate Appearance Energies

2010 ◽  
Vol 114 (34) ◽  
pp. 9115-9123 ◽  
Author(s):  
Sampada Borkar ◽  
Lauren Ooka ◽  
Andras Bodi ◽  
Thomas Gerber ◽  
Bálint Sztáray
Keyword(s):  
Bond Energies ◽  
Dissociative Photoionization

Ionization yields, total absorption, and dissociative photoionization cross sections of CH4 from 110 to 950 Å

1989 ◽  
Vol 90 (12) ◽  
pp. 6925-6932 ◽  
Author(s):  
James A. R. Samson ◽  
G. N. Haddad ◽  
T. Masuoka ◽  
P. N. Pareek ◽  
D. A. L. Kilcoyne
Keyword(s):  
Cross Sections ◽  
Total Absorption ◽  
Dissociative Photoionization

scholarly journals A big data approach to the ultra-fast prediction of DFT-calculated bond energies

2013 ◽  
Vol 5 (1) ◽  
Author(s):  
Xiaohui Qu ◽  
Diogo ARS Latino ◽  
Joao Aires-de-Sousa
Keyword(s):  
Big Data ◽  
Bond Energies ◽  
Fast Prediction

Evaluation of the Pr + O → PrO+ + e− chemi-ionization reaction enthalpy and praseodymium oxide, carbide, dioxide, and carbonyl cation bond energies

2021 ◽  
Vol 23 (4) ◽  
pp. 2938-2952
Author(s):  
Maryam Ghiassee ◽  
Brandon C. Stevenson ◽  
P. B. Armentrout
Keyword(s):  
Cross Sections ◽  
Ion Beam ◽  
Bond Energies ◽  
Reaction Enthalpy ◽  
Praseodymium Oxide ◽  
Guided Ion Beam ◽  
Ionization Reaction ◽  
Lanthanide Metal ◽  
Energy Dependent ◽  
Dependent Product

Guided ion beam tandem mass spectrometry was used to measure the kinetic energy dependent product ion cross sections for reactions of the lanthanide metal praseodymium cation (Pr+) with O2, CO2, and CO and reactions of PrO+ with CO, O2, and Xe.

The chemistry of aliphatic unconjugated nitramines. II. Intramolecular properties and crystal packing

1969 ◽  
Vol 22 (12) ◽  
pp. 2505 ◽  
Author(s):  
J Stals
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Dipole Moments ◽  
Molecular Crystals ◽  
Bond Orders ◽  
Bond Energies ◽  
Electric Dipole Moments ◽  
Charge Distributions ◽  
Hydrogen Bonding Interactions ◽  
Vb Structures

The VESCF(BJ)-MO electric dipole moments, molecular ionization potentials, electronic bond energies, charge distributions, and bond orders for nitramide, N-methylnitramine, and s- and as-N,N- dimethylnitramines are reported. The packing of nitramide, RDX, and HNX in their molecular crystals is rationalized in terms of electrostatic and hydrogen-bonding interactions. Simple VB structures do not readily predict their calculated MO charge distributions and bond orders.

Sign in / Sign up

Export Citation Format

Share Document