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25 Answers

Votes Activity Newest
18
Why were elements discovered “out of order” after 1950?
Feb 9 '18 at 1:10
17
Group theoretical condition for an integral to be zero
Jul 13 '17 at 19:00
16
Are the canonical orbitals of Hartree-Fock also the natural orbitals?
Jul 24 '17 at 23:12
16
How do I determine the molecular vibrations of linear molecules?
Jul 8 '17 at 7:01
16
Is it possible for a compound to be soluble in a mixture of solvents but not the individual solvents?
May 24 '17 at 19:48
12
A basic solution of HCl
May 29 '17 at 1:38
11
How are the π bonds arranged in Osmium Tetroxide?
Jun 6 '17 at 22:53
11
Why does NOCl dissociate as +NO and Cl-?
Apr 5 '18 at 19:03
11
Nitrobenzene and other monosubstituted benzenes 1H vs 13C NMR assignments
Nov 9 '17 at 9:39
10
Why must basis sets used in computations be non-orthogonal?
Jul 21 '17 at 21:03
10
Why doesn't tetraiodine exist?
May 24 '17 at 21:47
7
Molecular orbitals used with CCSD(T) geometries
Mar 12 '19 at 15:22
7
How does optimizing the molecular orbital coefficients in CASSCF improve its multi-reference capabilties?
Nov 6 '17 at 23:37
7
When is it better to use coupled-cluster (CC) over configuration interaction (CI) calculations?
Jul 4 '17 at 0:49
5
Reference states for molecular orbital energies in DFT calculations
Mar 11 '19 at 23:46
5
Why is a spin change favourable in intersystem crossing?
Apr 18 '18 at 22:50
5
Carbene mesomeric structure of vinyl carbocation?
May 29 '17 at 1:46
3
Different chemoselectivity of transition metals in catalytic hydrogenation
Jun 26 '17 at 22:14
3
How come electrons in the d-subshell are considered valence electrons in transition metals?
May 31 '17 at 20:14
2
Effective nuclear charge on an inner electron
Jul 20 '17 at 20:12
2
Last electron of a transition element
Jun 9 '17 at 20:06
2
Multiple-quantum coherences in NMR
May 29 '17 at 3:17
2
Confusion regarding sigma bond and pi bond
May 29 '17 at 4:23
2
In the reversible reactions of acyl substitution, how do backward reactions happen by being against the forward reaction drives?
May 26 '17 at 10:29
1
Reorganization during ionisation for d block elements
Feb 14 at 22:56