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jheindel's user avatar
jheindel
  • Member for 8 years, 9 months
  • Last seen more than a month ago
47 votes
2 answers
7k views

Are the lone pairs in water equivalent?

33 votes
2 answers
8k views

What is the exchange interaction?

27 votes
6 answers
2k views

Is it true that all of the physical laws and mathematics needed to describe chemistry are known?

22 votes
3 answers
7k views

What is a virtual state?

22 votes
1 answer
427 views

Mechanistic Explanation of Circular Dichroism

20 votes
1 answer
499 views

Observability of Orbitals and Orbital Energies

17 votes
2 answers
1k views

After a unitary transformation, is Koopmans' theorem still valid?

17 votes
1 answer
419 views

Conflict Between Organic and Physical Chemists--explaining the intensities of IR absorptions

16 votes
1 answer
1k views

How important is it that geometry be optimized at a high level of theory?

16 votes
1 answer
3k views

Explaining the Relative Energies of Various Vibrational Modes

12 votes
1 answer
653 views

What is it that is "symmetry-adapted" about symmetry-adapted perturbation theory?

11 votes
2 answers
1k views

Software for generating a lattice from a unit cell for molecular crystals?

9 votes
1 answer
3k views

Uncertainty Principle in the Ground State of a Rigid Rotor

8 votes
1 answer
146 views

How does one find the probability of tunneling along a reaction coordinate computationally?

8 votes
2 answers
427 views

Is there an electronic structure method which accounts for 3-, 4-, ..., n-electron exchange integrals?

8 votes
1 answer
3k views

How does the equipartition theorem apply to vibrational modes?

8 votes
1 answer
5k views

Why does dry ice "dissolve" so quickly in water?

7 votes
1 answer
1k views

Misconception? "That gas is heavier so it sinks."

7 votes
1 answer
1k views

Why does ice freeze the way it does?

7 votes
1 answer
2k views

Why doesn't my stainless steel Thermos get really really hot?

7 votes
1 answer
259 views

Non-trivial cases where the frozen core approximation is bad?

7 votes
1 answer
213 views

How real are bond dipoles?

7 votes
1 answer
710 views

How to calculate the quantum density of states?

7 votes
2 answers
1k views

When is it better to use coupled-cluster (CC) over configuration interaction (CI) calculations?

6 votes
1 answer
142 views

Is it possible to have a dispersion interaction with no inductive interactions?

6 votes
1 answer
492 views

Just how quantized are energy levels?

6 votes
2 answers
828 views

Freezing all the water on earth with a seed crystal

6 votes
1 answer
378 views

What structural property creates stickiness?

5 votes
1 answer
577 views

Does oxygenating tap water remove the tap water flavor?

5 votes
3 answers
117 views

Is there a universal minimum energy state?