All Questions
Tagged with databases reference-request
9 questions
6
votes
1
answer
104
views
Trouble finding pdfs of "Tables of Interatomic Distances and Configuration in Molecules and Ions" series books
I am currently trying to find molecular geometry data prior to 1960, and it seems like
"Tables of Interatomic Distances and Configuration in Molecules and Ions (1958). Special publication No. 11. ...
- 61
4
votes
1
answer
288
views
List of properties of molecules categorized by the number of atoms?
Is there an online database having information on molecules with a certain number of atoms? For example, properties of tri-atomic molecules?
There is this table that I got from NIST which gives a few, ...
- 1,115
7
votes
1
answer
103
views
Repository of Common Surfaces
Are there any repositories of crystal surfaces? Due to orientation / termination of surfaces, occasionally it is non-trivial to decide how exactly to cut a surface for things such as oxides. I ...
- 11.6k
10
votes
0
answers
111
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Large dataset with conductivities of materials and chemical compounds? [closed]
I'm looking for a fairly large (>100k) dataset of chemical compounds (and materials) that has conductivities. I've looked at PubMed, but couldn't find conductivities.
I would ideally like to avoid ...
12
votes
1
answer
450
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What are the databases of semiconductor properties?
Is there any database listing the experimentally-determined properties of semiconductor materials - things like Band Gap and Electron Mobility. These are easily found for common materials like ...
- 281
10
votes
1
answer
336
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Where did the "Computational Chemistry Comparison and Benchmark DataBase" find its scaling factors for vibrational specra?
I worked with gaussian to simulate vibrational IR and Raman spectra. For that purpose, I scaled the vibrational frequencies from my gaussian calculation with the scaling factors from this website:
...
- 589
8
votes
2
answers
426
views
Alanine dipeptide trajectories dataset
I was looking for a dataset of alanine dipeptide trajectories. I was wondering whether there is such dataset available or it is unlikely to find one and I should start running molecular dynamics ...
- 737
22
votes
1
answer
298
views
Database or repository with values for the Hubbard potential U?
The Materials Project and other materials databases have a nice periodic table on their home page that allows you to search for compounds. For some materials, they give an empirical $U$ value used to ...
- 4,899
23
votes
2
answers
2k
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Is there a list of all universality classes for phase transitions with examples of each?
I've often had this problem: I have a model that has a phase transition in it, but I don't know what universality class it falls into or what the universality class is called.
Is there anywhere on ...
- 6,804