Accurate ab initio predictions of the dissociation energy and heat of formation of first-row hydrides
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference31 articles.
1. Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)
2. Theoretical thermochemistry. 2. Ionization energies and proton affinities of AHn species (A = C to F and Si to Cl); heats of formation of their cations
3. Theoretical thermochemistry. 3. A modified procedure for ionization energies of AHn species
4. Theoretical thermochemistry. 4. Ionization energies and proton affinities of AHn species (A = lithium to boron and sodium to aluminum): geometries and enthalpies of formation of their cations
5. Combined bond polarization function basis sets for accurate ab initio calculation of the dissociation energies of AHnmolecules (A=LI to F)
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1. Ab Initiospectroscopic characterization of borane, BH, in its X1Σ+ electronic state;Journal of Computational Chemistry;2015-10-07
2. Beryllium monohydride (BeH): Where we are now, after 86years of spectroscopy;Journal of Molecular Spectroscopy;2015-05
3. Ab initioground-state potential energy function and vibration-rotation energy levels of imidogen, NH;Journal of Computational Chemistry;2015-04-28
4. Laser cooling of BH and GaF: insights from an ab initio study;Physical Chemistry Chemical Physics;2015
5. Electron wave packet modeling of chemical bonding: Floating and breathing minimal packets with perfect-pairing valence-bond spin coupling;Chemical Physics Letters;2012-01
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