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The forces, either attractive or repulsive, that exist between molecules due to electric charges or varying electron cloud distribution. This tag could also include intra-molecular attractions (within one molecule itself) often found in a protein amino acid residues.

1 vote
0 answers
19 views

Resource estimate for ab initio calculation [closed]

I have recently come across this very intriguing paper “The Fundamental Vibration of Molecular Hydrogen”. I have asked the authors the following naïve questions directly via email? What was the amoun …
Omar Shehab's user avatar
-1 votes
1 answer
54 views

Analog of chemical accuracy in vibronic energy calculation [closed]

Is there any analog of chemical accuracy in vibronic energy calculation? I understand that the unit is /cm however, probably, I shouldn't expect a given number in that unit as the analog. I am guessin …
Omar Shehab's user avatar