Chemistry
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ksousa
  • Member for 3 years
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  • Brazil
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A Chemistry grad student from Brazil, struggling to get back on my feet after nearly 10 years away from academia.

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Top posts
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All Questions Answers
Score Newest
answer
13
Is the carbon atom in the carbon dioxide molecule partially positive?
Mar 31, 2020
question
8
What's special about the purine scaffold?
Dec 1, 2020
question
6
Are there any semiempirical methods that work with heavy alkaline earth metals?
Mar 20, 2020
answer
4
How to calculate bicarbonate and carbonate from total alkalinity
Apr 23, 2020
answer
4
What question could be answered by "because the metabolites in the cell are in ionized form" in the topic of anaerobic metabolism?
Apr 29, 2020
question
3
What are the cheapest basis sets able to model intermolecular dipole interactions inside a metal complex and give good relative energies, with DFT?
Apr 8, 2020
question
3
I'd like to model some compounds with DFTB, but some elements don't have parameter files in the official site. Is there a workaround?
Apr 25, 2020
answer
3
Educational practice problems/systems/reactions in computational chemistry
Apr 1, 2020
question
2
How to reproduce the Gaussian 09 SDD basis set in Gamess-US?
Mar 20, 2020
question
2
How to create .CIF file from DRX data in a paper, for compound not found in crystallographic database
May 2, 2020
Top network posts
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76
Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?
56
In academic papers, is it really a bad thing to not report the relatively not good results?
53
DeepMind just announced a breakthrough in protein folding, what are the consequences?
30
Approximate equivalence table between Pople's basis sets and Jensen's DFT optimized polarization consistent basis sets (pcseg-n)
26
Which Linux distribution is best for Matter Modeling?

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