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A method for population and bonding analyses in calculations with extended basis sets
British Library Online Contents | 1997| -
An integral direct, distributed-data, parallel MP2 algorithm
British Library Online Contents | 1997| -
Møller-Plesset correlation energies in a localized orbital basis using a Laplace transform technique
National licenceSpringer Verlag | 1997| -
Analytical Hartree-Fock electron densities for atoms He through Lr
British Library Online Contents | 1997| -
The delocalisation energy of benzene and the non-empirical MO theory
British Library Online Contents | 1997| -
Moeller-Plesset correlation energies in a localized orbital basis using a Laplace transform technique
British Library Online Contents | 1997| -
Theoretical studies on the photochromic processes of 4-bromo-N-salicylideneaniline
National licenceSpringer Verlag | 1995| -
Large atomic natural orbital basis sets for the first transition row atoms
National licenceSpringer Verlag | 1995| -
Polarized basis sets for high-level-correlated calculations of molecular electric properties
National licenceVIII. Elements of the group IIb: Zn, Cd, HgSpringer Verlag | 1995| -
Dominant representations and a markaracter table for a group of finite order
National licenceSpringer Verlag | 1995| -
Extension of the local-spin-density exchange-correlation approximation to multiplet states
National licenceSpringer Verlag | 1995| -
Spin density in first-row atoms from the Hiller-Sucher-Feinberg identity
National licenceSpringer Verlag | 1995| -
Calculations of the absorption and emission spectra of p-N,N-dimethylaminobenzonitrile and analogues in solution
National licenceSpringer Verlag | 1995| -
Transferability of the -COOH...−OOC- dyad Geometry from the gas phase to crystals and proteins
National licenceSpringer Verlag | 1995| -
Three properties of relative shape envelopes of molecular electron density contours
British Library Online Contents | 1995| -
Post-adiabatic approach to atomic and molecular processes: The van der Waals interactions of some open shell systems
British Library Online Contents | 1995| -
Vibronic pairwise charge transfer in copper-oxide sheets: A possible approach to high temperature superconductivity theory
British Library Online Contents | 1995|
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