Alexander Alijah

Dear Struan, Thank you very much for your help. Best wishes, Alex

Dear Struan, Thank you for this first analysis. You are right, HEX1 is an ozonide. Since this is our first application of Mesmer, we omitted, for the time being, the first step leading to HEX1 in order to reduce the complexity of our input. That reaction will be added eventually. One of our interests is the product ratios. Our data files are a priori correct, verified by IRC. TS1 and TS2 have higher energies than HEX1, the intermediate I, for example, is lower. Its concentration [I] should start...

Dear Mesmer developers, We are new to Mesmer, and are trying to solve the problem A --> P1+P2 A <--> I I --> P2 + P3 I --> P4 + P5 Unfortunately, we get huge positive or even negative values for the intermediate I. Could you help us please. We attach the xml file. Thank you very much, Alex

Dear Mesmer developers, We are new to Mesmer, and are trying to solve the problem A --> P1+P2 A <--> I I --> P2 + P3 I --> P4 + P5 Unfortunately, we get hueg negative values for the intermediate I. Could you help us please. We attach the xml file. Thank you very much, Alex

Dear Mesmer developers, We are new to Mesmer, and are trying to solve the problem A --> P1+P2 A <--> I I --> P2 + P3 I --> P4 + P5 Unfortunately, we get hueg negative values for the intermediate I. Could you help us please. We attach the xml file. Thank you very much, Alex