User Raphaël

36 votes

Accepted

Is it possible to achieve a level of "truly zero" concentration?

answered Aug 7, 2020 at 18:01

9 votes

Accepted

Is it rigorous enough to change a DFT functional after geometry optimization to calculate excited state properties?

answered Dec 16, 2020 at 14:40

8 votes

Three stacked arrows, what does it signify?

answered Sep 17, 2020 at 15:08

6 votes

Why is tert-butoxide often used in elimination reactions when it is not necessary?

answered Aug 13, 2019 at 19:08

5 votes

Can you call H_2 an Atom?

answered May 12, 2020 at 21:26

5 votes

Why does formation of bond releases energy and where does that energy come from?

answered Aug 13, 2020 at 23:34

4 votes

Volume of a gas

answered Aug 7, 2019 at 20:30

4 votes

Which of the free access molecular modelling program apply the B3LYP/G-31G(d,p) level of theory?

answered Aug 1, 2019 at 9:38

3 votes

Why is p-methoxyphenol less acidic than phenol?

answered Aug 2, 2019 at 10:56

3 votes

Nucleophilicity in polar aprotic solvent (DMSO)

answered Jul 24, 2019 at 10:58

3 votes

Resonance and mesomeric effect

answered Aug 11, 2019 at 10:27

3 votes

How can I calculate the equilibrium constant for this reaction?

answered Aug 6, 2019 at 14:58

3 votes

Accepted

Can separated and purified substances be obtained from a chromatogram?

answered Jan 5, 2020 at 16:47

3 votes

Accepted

I'd like to model some compounds with DFTB, but some elements don't have parameter files in the official site. Is there a workaround?

answered Apr 25, 2020 at 18:54

2 votes

What is Delta H for dissolution?

answered Aug 11, 2019 at 13:55

2 votes

Accepted

Making aspirin without acetic anhydride

answered Sep 29, 2019 at 9:49

2 votes

Why is sodium peroxide not of white colour even if it is paramagnetic?

answered Aug 2, 2019 at 15:29

2 votes

Accepted

How to prove it mathematically that either rhombic or the monoclinic sulfur is denser?

answered Aug 3, 2019 at 15:32

2 votes

Software to perform molecular dynamic simulation

answered Aug 20, 2020 at 13:22

2 votes

Ways to determine the concentration of alkyl halides in organic solvents

answered Aug 24, 2020 at 20:11

1 vote

Who came up with C1V1 = C2V2?

answered Sep 6, 2020 at 13:06

1 vote

Cloud-based molecular modeling software

answered Feb 17, 2023 at 13:26

1 vote

Redox reactions redefined

answered Jul 14, 2019 at 10:04

1 vote

Accepted

Why is the hydroxide ion not considered to be amphoteric

answered Jul 23, 2019 at 18:33

0 votes

When boiling water, how is evaporation rate affected by the surface area of the container?

answered Jul 11, 2019 at 6:25

Stack Exchange Network

25 Answers

Is it possible to achieve a level of "truly zero" concentration?

Is it rigorous enough to change a DFT functional after geometry optimization to calculate excited state properties?

Three stacked arrows, what does it signify?

Why is tert-butoxide often used in elimination reactions when it is not necessary?

Can you call H_2 an Atom?

Why does formation of bond releases energy and where does that energy come from?

Volume of a gas

Which of the free access molecular modelling program apply the B3LYP/G-31G(d,p) level of theory?

Why is p-methoxyphenol less acidic than phenol?

Nucleophilicity in polar aprotic solvent (DMSO)

Resonance and mesomeric effect

How can I calculate the equilibrium constant for this reaction?

Can separated and purified substances be obtained from a chromatogram?

I'd like to model some compounds with DFTB, but some elements don't have parameter files in the official site. Is there a workaround?

What is Delta H for dissolution?

Making aspirin without acetic anhydride

Why is sodium peroxide not of white colour even if it is paramagnetic?

How to prove it mathematically that either rhombic or the monoclinic sulfur is denser?

Software to perform molecular dynamic simulation

Ways to determine the concentration of alkyl halides in organic solvents

Who came up with C1V1 = C2V2?

Cloud-based molecular modeling software

Redox reactions redefined

Why is the hydroxide ion not considered to be amphoteric

When boiling water, how is evaporation rate affected by the surface area of the container?