The Unimolecular Nucleophilic Substitution Module at MP2(full)/6-31G*

Theme Molecule Name Chemical Formula
Alkyl Bromide t-butyl bromide (S) (H3C)3C-OH
Carbenium Ion t-butyl cation (S) (H3C)3C+
Protonated Alcohol prot. t-butanol (S) (H3C)3C-+OH2
Alcohol t-butanol (S) (H3C)3C-OH
Water water (S) HOH
Hydronium Ion hydronium ion (S) H3O+


The Unimolecular Nucleophilic Substitution Module at MP2(full)/6-31+G*

Theme Molecule Name Chemical Formula
Alkyl Bromide t-butyl bromide (S) (H3C)3C-OH
Carbenium Ion t-butyl cation (S) (H3C)3C+
Protonated Alcohol prot. t-butanol (S) (H3C)3C-+OH2
Alcohol t-butanol (S) (H3C)3C-OH
Water water (S) HOH
Hydronium Ion hydronium ion (S) H3O+