ASE database

Displaying rows 1-25 out of 594
Mass ✕ no_equ_25 ✕ no_equ_15 ✕ no_equ_3 ✕ Energy ✕ ads_site ✕ no_equ_21 ✕ no_equ_22 ✕
17285.869 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 -193.113 f - -
17285.869 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -193.566 f - -
17285.869 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 -196.413 f - -
17285.869 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -198.094 f ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -
17285.869 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -198.315 f - -
17285.869 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 -197.510 f - -
17285.869 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -195.280 f - -
17285.869 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 -190.598 f ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005