Matter Modeling
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Kexanone
  • Member for 2 years, 7 months
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All Questions Answers
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question
11
Programs/Libraries for calculating solvent excluded surface and excluded volume
Mar 13, 2021
answer
11
How to calculate/plot molecular orbitals with XTB?
Feb 6, 2021
answer
8
How to make a python code that can read a .xyz file and find distance, angle and dihedral angle between atoms?
Mar 13, 2021
answer
5
Units of energy in Gaussian
Feb 5, 2021
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4
How does ORCA treat intermediates in Nudged Elastic Band (NEB) calculations
Dec 8, 2022

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