Data
Gaussian Scan (.log) Files
Gaussian Execution (.com) Files
SMD/sSAS Solvent files
Checkpoint Files
SMD/sSAS pKa Study
succinicacid.chk
meso-dimethylsuccinicacid.chk
2r3r-dimethylsuccinicacid.chk
2s3s-dimethylsuccinicacid.chk
meso-dmsa.chk
2r3r-dmsa.chk
2s3s-dmsa.chkGeometry Convergence Study - MP2
631g2d-mwb60.chk
631g2d-mwb78.chk
631gdp-mwb60.chk
631gdp-mwb78.chk
631g2dp-mwb60.chk
631g2dp-mwb78.chk
631+gd-mwb60.chk
631+gd-mwb78.chk
631+g2d-mwb60.chk
631+g2d-mwb78.chk
631++g2dp-mwb60.chk
631++g2dp-mwb78.chk
631++gdp-mwb60.chk
631++gdp-mwb78.chk