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...
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| Published in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 124; no. 17; p. 3407 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
30.04.2020
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| ISSN: | 1520-5215, 1520-5215 |
| Online Access: | Get more information |
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