Pseudopotential SCF and Cl investigation of the electronic structure of PdH, PdC and PdCO
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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1. The Catalytic Synthesis of Hydrocarbons from Carbon Monoxide and Hydrogen
2. Selective formation of methanol from synthesis gas over palladium catalysts
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1. Ab initio calculations on low‐lying electronic states of PdH;International Journal of Quantum Chemistry;2019-05-14
2. Low-Energy Vibrations of the Group 10 Metal Monocarbonyl MCO (M = Ni, Pd, and Pt): Rotational Spectroscopy and Force Field Analysis;The Journal of Physical Chemistry A;2011-02-20
3. PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling;The Journal of Physical Chemistry B;2006-11-01
4. Resonant two-photon ionization spectroscopy of NiC;The Journal of Chemical Physics;2002-12-15
5. Structure and thermodynamic stability of the OsC and OsC2 molecules by theoretical calculations and by Knudsen cell mass spectrometry;The Journal of Chemical Physics;2001-09-08
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