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Quantum chemistry / Molecular physics / Molecular modelling / Molecular orbital / Linear combination of atomic orbitals / Gaussian orbital / Force field / Quantitative structure–activity relationship / Drug design / Chemistry / Theoretical chemistry / Computational chemistry
Quantum chemistry
Molecular physics
Molecular modelling
Molecular orbital
Linear combination of atomic orbitals
Gaussian orbital
Force field
Quantitative structure–activity relationship
Drug design
Chemistry
Theoretical chemistry
Computational chemistry

Pure&Appl. Chem.,Vol. 69, No. 5, pp, 1997. Printed in Great BritainIUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY

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