user avatar
user avatar
user avatar
CoffeeIsLife
  • Member for 8 years, 5 months
  • Last seen more than 1 year ago
2 answers
11 votes
1k views
2 bookmarks
Irreducible representations and system states connection
1 answer
10 votes
603 views
5 bookmarks
What are the differences between the Hilbert space and real space representations in chemistry?
1 answer
7 votes
2k views
1 bookmarks
Calculating dipole moments from atomic partial charges
1 answer
5 votes
321 views
3 bookmarks
Amine Inversion and Paramagnetism
1 answer
11 votes
2k views
7 bookmarks
When is it necessary to check wavefunction stability in density functional theory?
4 answers
16 votes
2k views
9 bookmarks
Easiest way (software) to visualize charge density from an .xyz file with point-charges?
2 answers
10 votes
2k views
2 bookmarks
Can I pour a solution into another vessel with no air bubbles?
1 answer
21 votes
1k views
3 bookmarks
Is it possible for a compound to be soluble in a mixture of solvents but not the individual solvents?
0 answers
2 votes
83 views
1 bookmarks
Quantitative elemental analysis in mixtures with internal standard normalization
3 answers
5 votes
3k views
2 bookmarks
What do final zeros to the right of decimal point indicate?
1 answer
10 votes
12k views
7 bookmarks
What is melting? Which bonds do we break to melt something?
1 answer
21 votes
1k views
8 bookmarks
What does the newest IUPAC nomenclature have against unsaturation?
3 answers
6 votes
601 views
4 bookmarks
Why is time-dependent density-functional theory (TD-DFT) used to describe excited states?
1 answer
10 votes
820 views
1 bookmarks
Why does alpha cleavage occur?
1 answer
4 votes
2k views
1 bookmarks
Balancing a redox equation with only one product
1 answer
10 votes
2k views
4 bookmarks
Trend in atomic radius for noble gases
1 answer
5 votes
1k views
1 bookmarks
Deriving the partition function for a harmonic oscillator
2 answers
7 votes
621 views
3 bookmarks
On Wavefunctions of Hydrogen atom
3 answers
10 votes
3k views
2 bookmarks
Why do NMR samples require a solvent?
1 answer
7 votes
704 views
3 bookmarks
Why do we integrate square of wave function over N-1 electron coordinates?
3 answers
16 votes
991 views
8 bookmarks
Won't the net effect of a catalyst be zero if it creates a new path with lower activation energy?
1 answer
3 votes
916 views
2 bookmarks
What are the physical manifestations of radial nodes?
0 answers
7 votes
3k views
3 bookmarks
Inter electronic repulsion in s and d orbitals
2 answers
8 votes
2k views
5 bookmarks
Excited-states properties with traditional density functional theory
1 answer
0 votes
468 views
1 bookmarks
Can someone explain the unintuitive ordering in the metallic activity series?
1 answer
9 votes
2k views
12 bookmarks
Why is no dynamical correlation recovered in the CASSCF method?
1 answer
11 votes
1k views
2 bookmarks
If d-electrons are such poor shielders, why do trends increase more gradually across the d-block than the s or p-block?
2 answers
10 votes
2k views
6 bookmarks
U- or RO-method for Singlet-Triplet Gap?
1 answer
23 votes
393 views
7 bookmarks
How dependent are computed charges using the quantum theory of atoms in molecules on the used level of theory?
1 answer
1 vote
359 views
3 bookmarks
Confusion about atomic/molecular orbital terminology