Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

American Chemical Society (ACS) - Tập 102 Số 11 - Trang 1995-2001 - 1998
Vincenzo Barone1, Maurizio Cossi1
1Dipartimento di Chimica, Università `Federico II', via Mezzocannone 4, I-80134 Napoli, Italy

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