schneiderfelipe
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3 answers
20 votes
2k views
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How to find Young's Modulus using stress strain curve using Python?
4 answers
19 votes
403 views
8 bookmarks
How is group theory used to deduce which of these integrals are equal to 0?
1 answers
16 votes
429 views
3 bookmarks
Why is CPHF/CPKS necessary for calculating second derivatives?
1 answers
15 votes
306 views
6 bookmarks
Is it right to neglect very small imaginary frequencies?
1 answers
14 votes
192 views
2 bookmarks
Visualizing MD generated electron density cubes as trajectories
1 answers
12 votes
159 views
2 bookmarks
What's the physics contained in the exchange-correlation functional in the framework of KS-DFT?
1 answers
10 votes
105 views
1 bookmarks
Correcting thermodynamic data for concentration, what concentration is best to use?
1 answers
9 votes
146 views
2 bookmarks
Energy decomposition analysis (EDA) at transition state
1 answers
8 votes
95 views
1 bookmarks
Isotopes in Reaction Kinetics by Transition State Theory