Chemistry
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schneiderfelipe
  • Member for 6 years, 8 months
  • Last seen more than a month ago
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About

A PhD chemist (computational chemistry) and software developer (Rust, Julia, Python).

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All Questions Answers
Score Newest
answer
18
Hybridization of nitrogen in trisilylamine, (SiH3)3N?
Mar 2, 2017
answer
14
Is there any software that can do geometry optimization using machine learning?
Apr 15, 2020
answer
14
Deflection of Alpha Particles in Rutherford's model of atom
Mar 12, 2017
question
12
"NBO diagrams" versus MO diagrams
Feb 17, 2017
answer
12
Dihedral angle of gaseous and crystalline HOOH
Mar 1, 2017
answer
11
Why are they called ‘dispersion forces’ if they are an attractice force?
Jan 18, 2017
answer
10
Atomic radius definition disproved - Bohr's model to Schroedinger's wave equation
Jan 20, 2017
question
9
Transition state optimisation on the surface of periclase
Jan 27, 2017
answer
9
Is there a way to calculate bond energies using computational chemistry?
Nov 23, 2017
answer
9
MO diagram of N2(2-)
Mar 5, 2017
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29
Is there a free package with robust CASSCF functionality?
27
Where is the extended Hückel method (EHM) still used today?
24
What are some examples of active learning methods used in atomistic machine learning?
24
What are the different ways of calculating dispersion constants?
18
What is the state of the art in terms of local atomic environment descriptors for machine learning?

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