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Alex I's user avatar
Alex I's user avatar
Alex I's user avatar
Alex I
  • Member for 4 years
  • Last seen more than a month ago
12 votes
3 answers
583 views

Quantum chemistry in external electrostatic field?

10 votes
1 answer
162 views

Generalized Born implicit solvent models and pairwise descreening

9 votes
2 answers
699 views

Why are ions in water not paired?

9 votes
1 answer
3k views

Software for quantum electrodynamics?

7 votes
0 answers
92 views

Coupled cluster and periodic systems

7 votes
0 answers
185 views

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

6 votes
1 answer
318 views

How to predict protonation state of molecules in water?

5 votes
0 answers
58 views

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

5 votes
1 answer
107 views

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

4 votes
1 answer
352 views

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

2 votes
1 answer
95 views

Potential of mean force from potential energy