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 |