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

Barone, Vincenzo; Cossi, Maurizio

doi:10.1021/jp9716997

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

Author(s): Vincenzo Barone , Maurizio Cossi

Publication date Created: March 1998

Publication date (Print): March 1998

Journal: The Journal of Physical Chemistry A

Publisher: American Chemical Society (ACS)

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Title: The Journal of Physical Chemistry A

Abbreviated Title: J. Phys. Chem. A

Publisher: American Chemical Society (ACS)

ISSN (Print): 1089-5639

ISSN (Electronic): 1520-5215

Publication date Created: March 1998

Publication date (Print): March 1998

Volume: 102

Issue: 11

Pages: 1995-2001

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DOI: 10.1021/jp9716997

SO-VID: 0540080f-2392-4831-ae3d-302661773d40

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

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