Potential energy surfaces and the multiple scattering (MS) Xα method: A new study of the cases H2O and NH3
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference11 articles.
1. Total Energy in the Multiple Scattering Formalism: Application to the Water Molecule
2. Calculations of potential barriers using the SCF Xα SW method NH3 and H2O2
3. Scattered-Wave Theory of the Chemical Bond
4. On the use of overllapping spheres in the SCF Xα scattered-wave method
5. SCF‐X αSW calculations on PH3 using a nonempirical scheme for choosing overlapping‐sphere radii
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1. Incidence of the muffin-tin approximation on the electronic structure of large clusters calculated by theMS-LSD method: The typical case of C60;International Journal of Quantum Chemistry;1994-08-15
2. Transition properties from multiple scattering X-Alpha Calculations: A study of NO2;International Journal of Quantum Chemistry;1991-01
3. Bonding in tris(.eta.5-cyclopentadienyl) actinide complexes. 2. The ground electronic configurations of "base-free" Cp3An complexes (An = thorium, protactinium, uranium, neptunium, plutonium);Journal of the American Chemical Society;1989-04
4. Molecular electrostatic potentials from Xα calculations. Method and application to water and formamide;Chemical Physics Letters;1984-09
5. Electronic structure and magnetic properties of the PO32− radical: A molecular-orbital study;Chemical Physics Letters;1983-04
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