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periodic - Lorentz JÄNTSCHI

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Results** -<br />

different distinct factors!!<br />

Property Distinct* Grp. Zero Property Distinct* Grp. Zero<br />

DipoleT_0 376 352 Lumo-Homo_0 353 375<br />

DipoleT_1 377 351 Lumo-Homo_1 331 397<br />

DipoleT_2 377 351 Lumo-Homo_2 372 356<br />

EnergyHF_0 131 510 87 MolVol_0 175 512 41<br />

EnergyHF_1 139 507 82 MolVol_1 167 530 31<br />

EnergyHF_2 346 382 MolVol_2 372 356<br />

HOMO_0 337 389 2 Ovality_0 46 516 166<br />

HOMO_1 320 408 Ovality_1 51 590 87<br />

HOMO_2 367 361 Ovality_2 56 645 27<br />

LUMO_0 318 410 Polariz_0 349 379<br />

LUMO_1 300 428 Polariz_1 316 412<br />

LUMO_2 367 361 Polariz_2 371 357<br />

Lumo+Homo_0 355 373 SurfA_0 221 477 30<br />

Lumo+Homo_1 324 404 SurfA_1 202 520 6<br />

Lumo+Homo_2 356 370 2 SurfA_2 368 360<br />

“_0”: Boron and Nitrogen as factors; Carbon as reference<br />

“_1”: Carbon and Boron as factors; Nitrogen as reference<br />

“_2”: Nitrogen and Carbon as factors; Boron as reference<br />

**from 378 observations<br />

& 729 full design records<br />

*’expected’ = 378

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