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Non-empirical molecular orbital theory of the electronic structure of molecular crystals

S�amus F. O'Shea, D. P. Santry

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Key concepts: Fragment molecular orbital, Molecular orbital, Molecular orbital theory, Perturbation theory (quantum mechanics), Perturbation (astronomy), Non-bonding orbital, Physics, Materials science

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Non-empirical molecular orbital theory of the electronic structure of molecular crystals — Research Paper | ScholarLens