Supporting Information
Detailed geometric data along with those of complementary calculations. Figure S1 (geometry changes by the ADMP dynamical calculation), Figure S2 (the CT complex geometry), Figures S3 and S4 (reaction paths), Tables S1 and S2 (method dependence of TS1 geometries), and Cartesian coordinates of the optimized geometries.
| Supporting Information File 1: Detailed geometric data along with those of complementary calculations. | ||
| Format: PDF | Size: 1.2 MB | Download |
Cite the Following Article
Presence or absence of a novel charge-transfer complex in the base-catalyzed hydrolysis of N-ethylbenzamide or ethyl benzoate
Shinichi Yamabe, Wei Guan and Shigeyoshi Sakaki
Beilstein J. Org. Chem. 2013, 9, 185–196.
https://doi.org/10.3762/bjoc.9.22
How to Cite
Yamabe, S.; Guan, W.; Sakaki, S. Beilstein J. Org. Chem. 2013, 9, 185–196. doi:10.3762/bjoc.9.22
Download Citation
Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window
below.
Citation data in RIS format can be imported by all major citation management software, including EndNote,
ProCite, RefWorks, and Zotero.
Citations to This Article
Up to 20 of the most recent references are displayed here.
Scholarly Works
- Tamura, H.; Takezawa, H.; Fujita, M.; Ishikita, H. A self-assembled coordination cage enhances the reactivity of confined amides via mechanical bond-twisting. Physical chemistry chemical physics : PCCP 2022, 24, 21367–21371. doi:10.1039/d2cp03126d
- East, A. L. L. On the hydrolysis mechanisms of amides and peptides. International Journal of Chemical Kinetics 2018, 50, 705–709. doi:10.1002/kin.21194
- Bedford, C. T. doi:10.1002/9781118707838.ch2
- Bedford, C. T.
- Yamabe, S.; Zeng, G.; Guan, W.; Sakaki, S. Proton transfers in the Strecker reaction revealed by DFT calculations. Beilstein journal of organic chemistry 2014, 10, 1765–1774. doi:10.3762/bjoc.10.184
- Yamabe, S.; Zeng, G.; Guan, W.; Sakaki, S. Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study. Beilstein journal of organic chemistry 2014, 10, 259–270. doi:10.3762/bjoc.10.21
- Ermawan, H.
