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When using cube files having a molecule in gas phase, the STM mode current doesn't work, it seems it cant determine appropriately the vacuum. the Height mode works fine.
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**Description**
I was looking to see if @IAlibay's desired workflow in #1059 could be accomplished by creating two separate interchanges and then combining them to get a single interchange with dif…
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Greetings and good day,
I am wondering if auto3d can enumerate potential protonation states, same way as tautomeric states are being enumerated, I could not find anything relevant in the auto3d pap…
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```
CHEBI models "greenhouse gas" as a role:
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76413
Individual molecules such as water have "has_role" relationships to the "role"
of greenhouse …
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In the gas phase, RMG neglects van der Waals bonds. On surfaces, however, we may wish to consider molecules that are saturated but weakly bound to the surface (i.e. physisorbed).
e.g. CH4(g) + \* --> …
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Hey @pbuttigieg ENVO needs some more basic physical processes: Here a few we should add:
phase transition process [ref](https://www.britannica.com/science/phase-state-of-matter)
> A process during…
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Hej,
as it is defined now, the activation energy for a transition state is calculated from the initial total energies of the reactants. But if one has more than one reactant adsorbed on the surface,…
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## *Hosting Details*
*The Request will be deployed Molecular Absorption Spectroscopy Lab*
**Request Type**:
- [ ] Urgent
#### Note: All of the following request parameters are mandatory. Pleas…
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Dear EMEP team,
I'm running EMEP over South America using FINN2.5 to cover the forest fire emissions. The overall results are ok, however, in places were fires are present, PM concentrations and AO…
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reported by: @CloudyLex
```
Title:
A new and simple approach to determine the abundance of hydrogen molecules on interstellar ice mantles
Authors:
Hincelin, U.; Chang, Q.; Herbst, E.
Affiliation…