Articles | Volume 25, issue 19 
            
                
                    
            
            
            
        https://doi.org/10.5194/acp-25-12615-2025
                    © Author(s) 2025. This work is distributed under the Creative Commons Attribution 4.0 License.
                Acid-catalyzed hydrolysis kinetics of organic hydroperoxides: computational strategy and structure–activity relationship
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- Final revised paper (published on 10 Oct 2025)
- Supplement to the final revised paper
- Preprint (discussion started on 25 Apr 2025)
- Supplement to the preprint
Interactive discussion
Status: closed
            Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor
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                     RC1:  'Comment on egusphere-2025-1662', Anonymous Referee #1, 22 May 2025
            
            
            
            
                        - AC1: 'Reply on RC1', Hongbin Xie, 10 Jul 2025
 
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                     RC2:  'Comment on egusphere-2025-1662', Anonymous Referee #2, 22 May 2025
            
            
            
            
                        
            
                        - AC2: 'Reply on RC2', Hongbin Xie, 10 Jul 2025
 
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                     RC3:  'Comment on egusphere-2025-1662', Anonymous Referee #3, 23 May 2025
            
            
            
            
                        
            
                        - AC3: 'Reply on RC3', Hongbin Xie, 10 Jul 2025
 
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                     RC4:  'Comment on egusphere-2025-1662', Anonymous Referee #4, 07 Jun 2025
            
            
            
            
                        
            
                        - AC4: 'Reply on RC4', Hongbin Xie, 10 Jul 2025
 
Peer review completion
                AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
            
        
                        AR by Hongbin Xie  on behalf of the Authors (11 Jul 2025)
                             Author's response 
                             Author's tracked changes 
                             Manuscript 
                    
                
                        ED: Publish subject to minor revisions (review by editor) (18 Jul 2025) by Jason Surratt
                
                             
                            
                          
                    
                 
                            
                          
                    
                        AR by Hongbin Xie  on behalf of the Authors (25 Jul 2025)
                             Author's response 
                             Author's tracked changes 
                             Manuscript 
                    
                
                        ED: Publish as is (27 Jul 2025) by Jason Surratt
                
                             
                            
                          
                    
                 
                            
                          
                    
                        AR by Hongbin Xie  on behalf of the Authors (03 Aug 2025)
                             Manuscript 
                    
                 
 
                           
                 
                 
                 
                 
                 
                     
                     
                     
                    
The authors present a computational study investigating the acid-catalyzed hydrolysis rate constants of various hydroperoxides. In a first step, a proton model is screened and tested against experimentally derived hydrolysis rate constants and in a second step, the hydrolysis of a variety of hydroperoxides are investigated and discussed for typical atmospheric conditions. The study aims to overcome limitations of limited availability of authentic standards by using computational methods, which delivers an important contribution to the understanding of the fate of hydroperoxides in the atmosphere. As the reaction also leads to hydrogen peroxide formation, the findings of this study have large implications for the oxidant budget in the atmosphere. The study is well written with a clear flow and logic. I have, however, some concerns about the wide application of a system that was tested for quite narrow conditions. I recommend publication once a few issues have been addressed.