Can anybody suggest books that must be read by someone who wants to work in the field of theoretical and computational chemistry?

  • 1
    $\begingroup$ That is a very good question and I am quite interested in the answers even if my field (organic chemistry) is a bit far from it. $\endgroup$
    – SteffX
    Oct 26, 2017 at 14:47
  • 1
    $\begingroup$ Related: chemistry.stackexchange.com/questions/37303/…. This should help, though it kind of depends what you are looking to do. The computational chemists on the site tend to skew towards electronic structure theory rather than molecular mechanics, so you will likely find more resources for electronic stuff. (@SteffX so you see this as well) $\endgroup$
    – Tyberius
    Oct 26, 2017 at 15:03
  • $\begingroup$ @Tyberius Thank you very much. This looks really helpful to me because I am looking for pursuing electronic structure theory as well. $\endgroup$ Oct 26, 2017 at 16:32
  • $\begingroup$ @ArchyTripathi not a problem, though it is looking like the site is trying to condense reference requests to that single post (see here), so this question will potentially be closed a duplicate. $\endgroup$
    – Tyberius
    Oct 26, 2017 at 16:56
  • $\begingroup$ The physical basis of biochemistry and the physical basis for chemistry are outstanding books. $\endgroup$
    – M.ghorab
    Oct 26, 2017 at 18:55