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Max
  • Member for 9 years, 11 months
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13 votes
1 answer
2k views

Photoisomerization of Azobenzene

8 votes
1 answer
2k views

Is menthol an especially volatile molecule?

7 votes
1 answer
417 views

Do molecules change shape when they become vibrationally excited?

6 votes
2 answers
654 views

Why does vibrational cooling occur much faster than sponteneous emission in the condensed phase?

5 votes
1 answer
105 views

Can different groups within a single molecule photoisomerize at different wavelengths?

5 votes
0 answers
422 views

What is the theoretical justification for state averaging in SA-CASSCF?

4 votes
0 answers
151 views

How can I save and read the CI vector during CASSCF calculations in Gaussian?

4 votes
1 answer
1k views

Why do we observe signal coalescence during dynamic NMR?

4 votes
1 answer
3k views

Why is the groundstate electronic degeneracy of monoatomic O(g) 5?

3 votes
0 answers
334 views

Implementing the projected atomic orbital (PAO) localization in Gaussian