RMG-website

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sthakris

Just a small suggestion that could facilitate people's life. It would be nice to have the reference/origin of the data (paper with DOI or links) displayed on the RMG-website. Information...

chatelak

RMG not handling pressure dependent - multiple Arrhenius type reactions correctly

1

While modeling my combustion, I found there is one reaction in my kinetic library of the multiple Arrhenius type: HCCO + OH CO2 + CH2 which uses the sum of...

lynnrinkui

(enhancement proposal) https://www.libravatar.org is an alternative to gravitar which is used by Fedora Linux, among others

mefuller

Kinetics search for surface reactions

5

There are a couple things that I noted when @Tingchenlee and I trying to find the following reaction (it is in the Deutschmann_Ni library): first, if you put in CO2...

ChrisBNEU

Unable to Determine Thermo Parameters for OON=N[Pt]

2

Kinetic Search can't determine the thermo data for ``` multiplicity 4 
1 O u0 p2 c0 {2,S} {3,S} 
2 O u0 p2 c0 {1,S} {5,S}
 3 N u1 p1 c0...

Tingchenlee

Kinetic Search Error of [Pt]ON([Pt])[O] (Surface_Abstraction_vdW family)

2

Kinetic Search for this species ``` multiplicity 2 1 O u0 p2 c0 {3,S} {5,S} 2 O u1 p2 c0 {3,S} 3 N u0 p1 c0 {1,S} {2,S} {4,S} 4...

Tingchenlee

[This](https://rmg.mit.edu/database/kinetics/reaction/reactant1=multiplicity%202%0A1%20O%20u0%20p2%20c0%20%7B3,S%7D%20%7B5,S%7D%0A2%20O%20u1%20p2%20c0%20%7B3,S%7D%0A3%20N%20u0%20p1%20c0%20%7B1,S%7D%20%7B2,S%7D%20%7B4,S%7D%0A4%20X%20u0%20p0%20c0%20%7B3,S%7D%0A5%20X%20u0%20p0%20c0%20%7B1,S%7D%0A__product1=1%20X%20u0%20p0%20c0%0A__product2=1%20X%20u0%20p0%20c0%0A__product3=multiplicity%202%0A1%20O%20u1%20p2%20c0%20%7B3,S%7D%0A2%20O%20u0%20p2%20c0%20%7B3,D%7D%0A3%20N%20u0%20p1%20c0%20%7B1,S%7D%20%7B2,D%7D%0A__res=True) kinetics search shows "There are no kinetics for this entry." without making it clear that it's only because the reverse rate cannot easily be calculated by the website. In...

rwest

Incorrect behavior of kinetic entries

1

### Bug Description Kinetics search on the RMG website can't calculate the reactions rates for some mechanisms, which look like this one:  While their reverse reactions rates can be...

xiaoruiDong

Figures of Thermos and kinetics are usually provided when doing relevant searches. e.g., https://rmg.mit.edu/database/kinetics/reaction/reactant1=1%20C%20u0%20p0%20c0%20%7B2,S%7D%20%7B3,S%7D%20%7B4,S%7D%20%7B5,S%7D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D%0A3%20H%20u0%20p0%20c0%20%7B1,S%7D%0A4%20H%20u0%20p0%20c0%20%7B1,S%7D%0A5%20H%20u0%20p0%20c0%20%7B1,S%7D%0A__reactant2=multiplicity%202%0A1%20O%20u1%20p2%20c0%20%7B2,S%7D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D%0A__product1=multiplicity%202%0A1%20C%20u1%20p0%20c0%20%7B2,S%7D%20%7B3,S%7D%20%7B4,S%7D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D%0A3%20H%20u0%20p0%20c0%20%7B1,S%7D%0A4%20H%20u0%20p0%20c0%20%7B1,S%7D%0A__product2=1%20O%20u0%20p2%20c0%20%7B2,S%7D%20%7B3,S%7D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D%0A3%20H%20u0%20p0%20c0%20%7B1,S%7D%0A__res=True However, in the current settings (website branch, apache2, Django, ...), the generation of the figure is...

xiaoruiDong