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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


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