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LordStryker
  • Member for 12 years, 1 month
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36 votes
1 answer
4k views

Is there an energy cost associated with flipping the spin of an electron?

36 votes
1 answer
5k views

Natural Bond Orbital analysis: Significance of stabilization energy determined by 2nd order perturbation

14 votes
1 answer
3k views

Why are the total energies of transition states so commonly corrected for zero-point vibrational energy?

9 votes
2 answers
2k views

Reaction Pathways: What to do when IRC geometries are relaxed (optimized) and the energy changes significantly

8 votes
1 answer
882 views

Intrinsic Reaction Coordinate - What does 'Connectivity' really mean?

7 votes
2 answers
1k views

How to properly denote imaginary magnitudes of vibrational frequencies

7 votes
3 answers
585 views

How to properly relate quantum mechanical energy to the classical world

1 vote
1 answer
107 views

Methods: Does failing at intermolecular properties mean the same for intramolecular properties?

0 votes
1 answer
1k views

What is the name of this molecule? (C₈O₃H₁₃N)