Alex I's user avatar
Alex I's user avatar
Alex I's user avatar
Alex I
  • Member for 3 years, 11 months
  • Last seen more than a week ago
5 votes
0 answers
54 views

How does dimer and monomer zero point energy affect dissociation energy?

7 votes
0 answers
89 views

Coupled cluster and periodic systems

9 votes
1 answer
3k views

Software for quantum electrodynamics?

5 votes
1 answer
103 views

How easy is it to distinguish water from ions in xray crystallography?

2 votes
1 answer
94 views

Potential of mean force from potential energy

4 votes
1 answer
328 views

How many electrons and orbitals should I include in a CASSCF calculation?

9 votes
2 answers
699 views

Why are ions in water not paired?

7 votes
0 answers
176 views

How to make an idealized infinite alpha helix or beta sheet?

10 votes
1 answer
162 views

Generalized Born implicit solvent models and pairwise descreening

6 votes
1 answer
315 views

How to predict protonation state of molecules in water?

12 votes
3 answers
565 views

Quantum chemistry in external electrostatic field?