Type,mass,drude_mass,epsilon,sigma,alpha,Molecule,Description,Reference
ODw,16,0.8,0.21094155,3.18395,0.97825,swm4-ndp,SWM4-NDP O,https://doi.org/10.1016/j.cplett.2005.10.135
HDw,1,,0,0,0,swm4-ndp,SWM4-NDP H,https://doi.org/10.1016/j.cplett.2005.10.135
MDw,0.001,,0,0,0,swm4-ndp,SWM4-NDP M,https://doi.org/10.1016/j.cplett.2005.10.135
O3c,16,0.8,0.156,3.20367,0.95,O3,O3 center,https://pubs.acs.org/doi/pdf/10.1021/jp051361%2B
O3s,16,0.8,0.156,3.20367,0.95,O3,O3 side,https://pubs.acs.org/doi/pdf/10.1021/jp051361%2B
He,4,0.8,0.0218,2.6397,0.205,,He,https://pubs.acs.org/doi/pdf/10.1021/ja00046a032
polNa,23,0.8,0.0315100,2.60442,0.157,,polarizable Na+,https://pubs.acs.org/doi/pdf/10.1021/ct900576a
polCl,35,0.8,0.0719737,4.42084,3.969,,polarizable Cl-,https://pubs.acs.org/doi/pdf/10.1021/ct900576a
polBr,80,0.8,0.0823440,4.67951,5.262,,polarizable Br-,https://pubs.acs.org/doi/pdf/10.1021/ct900576a
polI,127,0.8,0.2084343,4.91414,7.439,,Polarizable I-,https://pubs.acs.org/doi/pdf/10.1021/ct900576a
CC,12,0.8,0.0576,3.1256,0.616,CO3,polarizable Carbonate C,https://doi.org/10.1016/j.jcis.2007.09.097
OC,16,0.8,0.1554,3.5532,0.434,CO3,polarizable Carbonate O,https://doi.org/10.1016/j.jcis.2007.09.098
Na,23,,0.124665,2.876,0,,Na+,https://pubs.acs.org/doi/10.1021/jp980642x
Cl,35,,0.124665,3.785,0,,Cl-,https://pubs.acs.org/doi/10.1021/jp980642x
OT4P,16,,0.16275,3.16435,0,tip4p/e,TIP4P/E O,https://doi.org/10.1063/1.1683075
HT4P,1,,0,0,0,tip4p/e,TIP4P/E H,https://doi.org/10.1063/1.1683075
MT4P,0.001,,0,0,0,tip4p/e,TIP4P/E M,https://doi.org/10.1063/1.1683075
OSPC,16,,0.1553,3.166,0,spc,SPC(/E) O,https://pubs.acs.org/doi/pdf/10.1021/j100308a038
HSPC,1,,0,0,0,spc,SPC(/E) H,https://pubs.acs.org/doi/pdf/10.1021/j100308a038
bicarbH,1,0.8,0,0,0.135,HCO3,Bicarbonate H,https://doi.org/10.1016/j.jcis.2007.09.098
bicarbC,12,0.8,0.0576,3.1256,0.616,HCO3,Bicarbonate C,https://doi.org/10.1016/j.jcis.2007.09.098
bicarbOH,16,0.8,0.1554,3.5532,0.465,HCO3,Bicarbonate Hydroxyl O,https://doi.org/10.1016/j.jcis.2007.09.098
bicarbO,16,0.8,0.1554,3.5532,0.434,HCO3,Bicarbonate O,https://doi.org/10.1016/j.jcis.2007.09.098
OT3P,16,,0.102,3.188,0,tip3p/e,TIP3P O,https://doi.org/10.1063/1.1808117
HT3P,1,,0,0,0,tip3p/e,TIP3P H,https://doi.org/10.1063/1.1808117
Au,197,,0.1,3.16435,0,,Au,