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. 2019 Jul 10;9:10002. doi: 10.1038/s41598-019-46449-5

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Joint distribution of the angle between a HB (HB donor to acceptor vector) and the electric field, and the corresponding ALMO-EDA charge transfer energy. In this figure only the molecules that are simultaneously accepting two HBs or simultaneously donating two HBs are considered. The left and right subfigures correspond to the strongest and second-strongest HBs, respectively. Both subfigures were calculated at t = 500 fs, i.e. immediately after the pulse.