ASE database

Displaying rows 1-100 out of 594
↓ ID ✕ str_E ✕ no_equ_28 ✕ no_equ_11 ✕ Charge ✕ no_equ_26 ✕ no_equ_10 ✕
1 -193.113 - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 0.000 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 -193.566 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 0.000 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 -196.413 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.000 - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 -198.094 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.000 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 -198.315 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.000 - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 -197.510 - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.000 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 -195.280 - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.000 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 -190.598 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.000 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014