Bonding

Interaction

Real Space Functions

Eint (eV)

ρ (r)

2 (r)

G (r)

V (r)

G/V

eta index

HL1-Al

Al∙∙∙C18

0.0121

0.0136

0.0041

−0.0048

0.8508

0.2412

−0.0659

Al∙∙∙N10

0.0742

0.4571

0.1195

−0.1247

0.9584

0.1744

−1.6961

Al∙∙∙O25

0.0372

0.1797

0.0455

−0.0462

0.9866

0.1549

−0.6280

HL2-Al

Al∙∙∙C18

0.0128

0.0137

0.0043

−0.0052

0.8331

0.2482

−0.0701

Al∙∙∙N10

0.0719

0.4334

0.1133

−0.1182

0.9582

0.1748

−1.6087

Al∙∙∙O25

0.0372

0.1765

0.0450

−0.0458

0.9818

0.1566

−0.6232

HL3-Al

Al∙∙∙C18

0.0120

0.0136

0.0041

−0.0048

0.8545

0.2406

−0.0651

Al∙∙∙N10

0.0747

0.4631

0.1210

−0.1263

0.9584

0.1743

−1.7181

Al∙∙∙O25

0.0372

0.1807

0.0457

−0.0463

0.9880

0.1544

−0.6299

HL4-Al

Al∙∙∙C18

0.0120

0.0136

0.0041

−0.0048

0.8539

0.2399

−0.0653

Al∙∙∙N10

0.0747

0.4632

0.1210

−0.1263

0.9585

0.1743

−1.7183

Al∙∙∙O25

0.0371

0.1799

0.0456

−0.0462

0.9873

0.1546

−0.6280

HL5-Al

Al∙∙∙C18

0.0124

0.0137

0.0042

−0.0049

0.8455

0.2456

−0.0673

Al∙∙∙N10

0.0741

0.4564

0.1193

−0.1244

0.9585

0.1744

−1.6929

Al∙∙∙O25

0.0371

0.1791

0.0454

−0.0461

0.9861

0.1549

−0.6267