| dc.contributor.author |
Batista, Patrick Rodrigues |
|
| dc.contributor.author |
Silva, João Pedro Brussolo da |
|
| dc.contributor.author |
Baum, Dario |
|
| dc.contributor.author |
Kirchner, Barbara |
|
| dc.contributor.author |
Tormena, Cláudio Francisco |
|
| dc.date |
2026-01-27 |
|
| dc.date.accessioned |
2026-01-16 |
|
| dc.date.accessioned |
2026-01-29T01:11:57Z |
|
| dc.date.available |
2026-01-29T01:11:57Z |
|
| dc.identifier.uri |
https://doi.org/10.25824/redu/U5XMOP |
|
| dc.identifier.uri |
https://redu.unicamp.br/dataset.xhtml?amp;persistentId=doi:10.25824/redu/U5XMOP |
|
| dc.description |
Supporting information data for the article "Conformation-Driven Duality in the MBH Proton Transfer Mechanism: Dynamic View of Solvent and Entropic Effects" including raw files of XYZ coordinates and NMR spectra. |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.format |
application/gzip |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.format |
application/vnd.ms-excel |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.format |
application/zip |
|
| dc.publisher |
Rodrigues Batista, Patrick |
|
| dc.subject |
Chemistry |
|
| dc.title |
Project regarding the rate-determining step of the Morita-Baylis-Hillmann reaction in water using well-tempered metadynamics |
|
| dc.description.sponsorshipId |
FAPESP: 2019/17874-0 |
|
| dc.description.sponsorshipId |
FAPESP: 2013/08293-7 |
|
| dc.description.sponsorshipId |
FAPESP: 2021/09687-5 |
|
| dc.description.sponsorshipId |
FAPESP: 2023/00531-8 |
|
| dc.description.sponsorshipId |
FAPESP: 2020/10246-0 |
|
| dc.description.sponsorshipId |
FAPESP: 2022/11152-5 |
|