QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules
Atomic charges are invariant for out-of-plane distortions, making their molecular vibrations enticing for electronic structure studies. Of planar molecules, the boron trihalides contain some of the most polar bonds known to chemistry, although their out-of-plane bending intensities are very small co...
Uložené v:
| Vydané v: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Ročník 124; číslo 17; s. 3407 |
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| Hlavní autori: | , |
| Médium: | Journal Article |
| Jazyk: | English |
| Vydavateľské údaje: |
United States
30.04.2020
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| ISSN: | 1520-5215, 1520-5215 |
| On-line prístup: | Zistit podrobnosti o prístupe |
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