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IssueInternational Journal of Quantum Chemistry: Volume 32, Issue 2
fmi-fmii, 149-277August 1987
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Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He …︁ He interaction
- Pages: 149-164
- First Published: August 1987
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A revisit to molecular path codes: Ordering, comparability, and similarity of benzenoid, nonbenzenoid, and monoradical hydrocarbons
- Pages: 165-179
- First Published: August 1987
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Fixed closest distance of approach dipole potential mapping: An effective alternative to the monopole isopotential approach
- Pages: 181-191
- First Published: August 1987
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“Non-muffin tin” corrections of the SCF Xα-SW Method. I
- Pages: 193-205
- First Published: August 1987
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The effect of “full” and “limited” counterpoise corrections with different basis sets on the energy and the equilibrium distance of hydrogen bonded dimers
- Pages: 207-226
- First Published: August 1987
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The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: An examination of the basis set dependence
- Pages: 227-248
- First Published: August 1987
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Symmetry orbitals for one-electron band-structure computations of one-dimensional crystals
- Pages: 249-264
- First Published: August 1987
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Development and parametrization of sindo1 for second-row elements†
- Pages: 265-277
- First Published: August 1987
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