Optmization of L-J Potentials for CCS calculations in any gas
Can we optimize the L-J potentials in any gas?
January 31, 2018 Comments Off on Optmization of L-J Potentials for CCS calculations in any gas Like
Can we optimize the L-J potentials in any gas?
| #Formula | Cpd | Mass | KEGG | CAS | Polarity | Ion Species | CCS | Z | Gas | CCS Standard | Notes | Temperature | Charge |
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 138.7118 | 1 | N2 | 270 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 138.2554 | 1 | N2 | 272 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 137.9973 | 1 | N2 | 273.15 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 137.8124 | 1 | N2 | 274 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 137.3508 | 1 | N2 | 276 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 136.9433 | 1 | N2 | 278 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 136.4851 | 1 | N2 | 280 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 136.0116 | 1 | N2 | 282 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 135.6423 | 1 | N2 | 284 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 135.1745 | 1 | N2 | 286 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 134.7452 | 1 | N2 | 288 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 134.3577 | 1 | N2 | 290 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 133.9938 | 1 | N2 | 292 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 133.5734 | 1 | N2 | 294 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 133.1836 | 1 | N2 | 296 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 132.8005 | 1 | N2 | 298 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 132.3731 | 1 | N2 | 300 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 132.1181 | 1 | N2 | 302 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 131.7174 | 1 | N2 | 304 | 1 | ||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 1 | N2 | 310.15 | 1 | |||||
| C14H10 | Anthracene | 120-12-7 | positive | (M*) | 1 | N2 | 373.15 | 1 |
