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Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
National licenceAmerican Institute of Physics | 1980| -
Theoretical infrared spectra of biphenyl, terphenyls and tetraphenyls for astrophysical purposes
British Library Online Contents | 2012| -
Extensive ab Initio Study of the C2O2, C2S2, and C2OS Systems: Stabilities and Singlet−Triplet Energy Gaps
American Chemical Society | 2000| -
d Orbitals in the sp3d, sp2d2, and p3d2 Configurations of Phosphorus
National licenceAmerican Institute of Physics | 1968| -
3d‐Radial Functions in the sp3d Configuration of Phosphorus
National licenceAmerican Institute of Physics | 1967| -
Extensive ab Initio Study of the C~2O~2, C~2S~2, and C~2OS Systems: Stabilities and Singlet-Triplet Energy Gaps
British Library Online Contents | 2000| -
A unitary group formulation of the complete active space configuration interaction method. I. General formalism
National licenceAmerican Institute of Physics | 1989| -
Computational experiments on the lowest two electronic states of the N2H3 radical
National licenceAmerican Institute of Physics | 1979| -
The calculation of atomic polarizabilities, with emphasis on the first transition series
National licenceTaylor & Francis Verlag | 1986| -
Computed self‐consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B2, C2, N2, O2, F2, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions
National licenceAmerican Institute of Physics | 1992| -
Spatial symmetry and equivalence with unrestricted Hartree-Fock wavefunctions: application to the prediction of spin densities
British Library Online Contents | 1997| -
Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions
National licenceAmerican Institute of Physics | 1984| -
Unitary group approach to reduced density matrices
National licenceAmerican Institute of Physics | 1990| -
The interstellar gas-phase formation of CO2 – Assisted or not by water molecules?
British Library Online Contents | 2006| -
Pseudoatom expansions of the first-row diatomic hydride electron densities
National licenceIUCr | 1982| -
Can a multipole analysis faithfully reproduce topological descriptors of a total charge density?
British Library Online Contents | 2002|
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