O—H and C—H bond dissociations in non-phenyl and phenyl groups: A DFT study with dispersion and long-range corrections.
Hydrogen atom transfer is one important reaction in biological system, in industry, and in atmosphere. The reaction is preluded by hydrogen bond dissociation. To gain a comprehensive understanding on the reaction, it is necessary to investigate how the current computational methods model hydrogen bo...
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| Main Authors: | , , , , , |
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| Format: | Article PeerReviewed |
| Language: | English English English English English |
| Published: |
Springer New York
2021
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| Online Access: | https://repository.unair.ac.id/116689/1/C03.%20Karya%20Ilmiah_O%E2%80%94H%20and%C2%A0C%E2%80%94H%20bond_.pdf https://repository.unair.ac.id/116689/2/C03.%20Review%20dan%20Validasi.pdf https://repository.unair.ac.id/116689/3/C03.%20Similarity.pdf https://repository.unair.ac.id/116689/4/C03.%20Submission.pdf https://repository.unair.ac.id/116689/8/C03.%20Submission%20Update.pdf https://repository.unair.ac.id/116689/ https://link.springer.com/article/10.1007/s00214-021-02781-6 |
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| Institution: | Universitas Airlangga |
| Language: | English English English English English |