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- Journal Article
- A2
- open access
Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states
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- Journal Article
- A1
- open access
Maximum probability domains for Hubbard models
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- Journal Article
- A1
- open access
The influence of orbital rotation on the energy of closed-shell wavefunctions
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
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Kinetic models for catalytic reactions from first principles: benzene hydrogenation
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Structure-property relationships and momentum space quantities : Hammett sigma-constants
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T-1 RELAXATION-TIME OF WATER FROM A MOLECULAR-DYNAMICS SIMULATION.
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Applicability of the SCF-Xα-SW method in the study of the stability of doubly positive microclusters : N2++