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Osman Mamun
  • Member for 9 years, 7 months
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3 votes
0 answers
56 views

Computational determination of unique adosrption sites

9 votes
2 answers
2k views

Python command line tool to get chemical structure

3 votes
1 answer
656 views

Number of two electron integrals

5 votes
1 answer
537 views

Carbohydrate conformations

8 votes
1 answer
1k views

Why is coulomb integral is called local while the corresponding exchange integral is called non-local

30 votes
1 answer
14k views

What is the difference between dynamic and static electronic correlation

6 votes
1 answer
1k views

Why does the local density approximation (LDA) overestimate atomization energy?

3 votes
2 answers
441 views

Hybrid functional calculations using different approach

1 vote
0 answers
264 views

Transition metals have a half filled s band in their metallic states

8 votes
1 answer
787 views

Why is the square of the wavefunction a probability density?

6 votes
1 answer
1k views

Carbohydrate configurations