Matter Modeling
lewiso1's user avatar
lewiso1's user avatar
lewiso1's user avatar
lewiso1
  • Member for 2 years, 8 months
  • Last seen more than a week ago
  • Sydney NSW, Australia
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All Questions Answers
Score Newest
answer
12
Contact Angle (water droplet on a surface)
Mar 28, 2022
answer
10
Programs/Libraries for calculating solvent excluded surface and excluded volume
Mar 19, 2021
answer
9
How do I calculate the radial distribution function from the centre of mass of unit cell in GROMACS?
Mar 23, 2021
answer
8
High throughput tool to quantify the similarity of crystal structures?
Jun 20, 2021
question
8
Can the NCI (noncovalent interaction) index be generated starting with psi4?
Jun 9, 2021
answer
7
Visualize electron density using pyscf
Mar 10, 2022
answer
5
Node features matrix with Networkx
Feb 10, 2022
question
4
Is there a computationally-accessible metric of "reactivity" in the medicinal-chemistry sense?
Nov 1, 2022
question
4
Should this phenolic hydroxyl be rotatable?
Feb 7
answer
4
How to properly compute volume bound by surface with uniform electronic density, from data in a cube file?
Aug 25, 2022

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