@pH13 Thanks, I'm already reading Frank Jensen's book so glad to hear someone suggest it to me gives me more confidence in it. The other 3 I'll take a look, I appreciate it.
My issue
I have a significant problem with the following excerpt from a general chemistry text:
Note that ON stands for oxidation number (state). The excerpt is with regard to polyatomic anions - specifically, chloride ion and its related polyatomic anions.
It now follows that as oxygen-a...
I usually just kind of lurk and observe in most of these rooms. I find something that seems interesting and watch the conversations to see if I can pick up bits here and there. A greeting when coming into a room is kind of a rare thing. :P
Say, @pH13, have you heard about the convergence of the FLP calculation in determining the sp5 hybridization from the most stable allotrope of cyclopropane?
;)
@duzzy I wrote the above message for you. Juuust for you.
**OP:** I am pretty new to the field of Ab initio calculations and would like some help through an experiment. [...] calculate the electron density at different spots (atoms) [...] find a relationship to the activity profile ... orca input line "! RKS B2PLYP TightSCF def2-SVP Grid4 MULLIKEN" [...] I tried to visualize my MeOH molecule in chemcraft as a free trial and the molecule appeared with no bonds connecting the atoms like they are hanged in space. [...]
My issue
I have a significant problem with the following excerpt from a general chemistry text:
Note that ON stands for oxidation number (state). The excerpt is with regard to polyatomic anions - specifically, chloride ion and its related polyatomic anions.
It now follows that as oxygen-a...
