Interface of the Polarizable Continuum Model of Solvation with Semi-Empirical Methods in the GAMESS Program

Open Access

Peer-reviewed

Research Article

Casper Steinmann,

Affiliation Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense, Denmark
⨯
Kristoffer L. Blædel,

Affiliation Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
⨯
Anders S. Christensen,

Affiliation Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
⨯
Jan H. Jensen

* E-mail: jhjensen@chem.ku.dk

Affiliation Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
⨯

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Solvation
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Free energy
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Ab initio quantum chemistry methods
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Computational chemistry
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Electrostatics
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Integrals
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Proteomic databases
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Semi-empirical methods
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