Willian R Rocha (Willian Rocha)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Top Venues

Inorganic chemistry

The journal of physical chemistry. B

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Brunno A Salvatti, Marcelo A Chagas, Philipe de Olveira Fernandes, Yan F X Ladeira, Aline S Bozzi, Veronica S Valadares, Ana Paula Valente, Amanda S de Miranda, Willian R Rocha, Vinícius Gonçalves Maltarollo, Adolfo Henrique Moraes
Understanding the Enzyme ( S )-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones. Journal of chemical information and modeling (2024)
Brunno A Salvatti, Marcelo A Chagas, Philipe de Olveira Fernandes, Yan F X Ladeira, Aline S Bozzi, Veronica S Valadares, Ana Paula Valente, Amanda S de Miranda, Willian R Rocha, Vinícius Gonçalves Maltarollo, Adolfo Henrique Moraes
Understanding the Enzyme ( S )-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones. Journal of chemical information and modeling 64 (11) (2024)
Mariana Yoshinaga, Josene Maria Toldo, Willian R Rocha, Mario Barbatti
Photoisomerization pathways of trans -resveratrol. Physical chemistry chemical physics : PCCP (2024)
Aline S Bozzi, Willian R Rocha
Calculation of Excited State Internal Conversion Rate Constant Using the One-Effective Mode Marcus-Jortner-Levich Theory. Journal of chemical theory and computation (2023)
Mariana Yoshinaga, Willian R Rocha
New Hybrid Compound Candidate as Photothermal Agent Based on DPP Derivatives and Toluidine Blue: A Theoretical Perspective. Photochemistry and photobiology (2023)
Mariana Yoshinaga, Willian R Rocha
Theoretical Investigation of the 4,5-Dibromorodamine Methyl Ester (TH9402) Photosensitizer Used in Photodynamic Therapy: Photophysics, Reactions in the Excited State, and Interactions with DNA. The journal of physical chemistry. B 125 (31) (2021)
Nicolas I Neuman, Mateus F Venâncio, Willian R Rocha, Damian E Bikiel, Sebastián Ángel Suarez, Fabio Doctorovich
Nitric Oxide Reacts Very Fast with Hydrogen Sulfide, Alcohols, and Thiols to Produce HNO: Revised Rate Constants. Inorganic chemistry 60 (21) (2021)
Eufrásia S Pereira, Gabriel L S Rodrigues, Willian R Rocha
Electronic structure and mechanism for the uptake of nitric oxide by the Ru(iii) antitumor complex NAMI-A. RSC advances 11 (13) (2021)
Mateus M Quintano, Gabriel L S Rodrigues, Marcelo A Chagas, Willian R Rocha
Revisiting the Tropospheric OH-Initiated Unimolecular Decomposition of Chlorpyrifos and Chlorpyrifos-Methyl: A Theoretical Perspective. The journal of physical chemistry. A 124 (21) (2020)
Marcelo Chagas, Willian R Rocha, Adolfo Henrique Moraes
Dynamics and allostery of Zika virus non-structural protein 5 methyltransferase. Journal of biomolecular structure & dynamics 39 (15) (2020)
Juan Pablo Marcolongo, Mateus F Venâncio, Willian R Rocha, Fabio Doctorovich, José A Olabe
NO/H2S "Crosstalk" Reactions. The Role of Thionitrites (SNO-) and Perthionitrites (SSNO-). Inorganic chemistry 58 (22) (2019)
Marcelo A Chagas, Eufrásia S Pereira, Marina P B Godinho, Júlio Cosme S Da Silva, Willian R Rocha
Base Mechanism to the Hydrolysis of Phosphate Triester Promoted by the Cd2+/Cd2+ Active site of Phosphotriesterase: A Computational Study. Inorganic chemistry 57 (10) (2018)
Mateus F Venâncio, Fabio Doctorovich, Willian R Rocha
Solvation and Proton-Coupled Electron Transfer Reduction Potential of 2NO• to 1HNO in Aqueous Solution: A Theoretical Investigation. The journal of physical chemistry. B 121 (27) (2017)