Table I.
Initial Geometry | Counterpoise Energies (kcal/mol) | ||||
---|---|---|---|---|---|
NH4+ | CH3NH3+ | (CH3)2NH2+ | (CH3)3NH+ | (CH3)4N+ | |
0_0 | −19.0±0.1 | −18.1±0.6 | −17.0±0.7 | −16.7±1.1 | −8.8±0.7 |
30_0 | −14.6±0.2 | −14.0±0.1 | −12.9±0.5 | −12.7±0.7 | −8.2±0.7 |
30_30 | −15.1±0.0 | −13.0±0.2 | −12.9±0.6 | −12.8±0.6 | −8.1±0.7 |
60_0 | −9.0±0.1 | −8.5±0.2 | −7.8±0.6 | −7.5±0.7 | −3.9±0.7 |
60_30 | −9.0±0.1 | −8.7±0.2 | −7.9±0.6 | −7.6±0.7 | −3.9±0.7 |
90_0 | −4.7±0.1 | −4.1±0.2 | −4.0±0.6 | −3.9±0.6 | 0.5±0.1 |
90_30 | −4.7±0.1 | −4.3±0.2 | −4.3±0.6 | −3.8±0.5 | −0.5±0.2 |