Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2019 | Protonation_with_urea | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -474.708428180; Eh | |||
 | 18-Mar-2019 | Deprotonation_with_triphenylguanidine | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -1147.45733171; Eh | |||
 | 18-Mar-2019 | Methyl_MePhenol | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -425.138318482; Eh | |||
 | 18-Mar-2019 | Methanol | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -115.664545044; Eh | |||
 | 18-Mar-2019 | Concerted_eq_proton_transfer_with_tbd | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -840.648042027; Eh | |||
 | 18-Mar-2019 | Concerted_ax_proton_transfer_with_methanol | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -517.754422400; Eh | |||
 | 18-Mar-2019 | Adduct_formanilide_ON | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2006.40091564; Eh | |||
 | 18-Mar-2019 | Adduct_urea_NO | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -1830.86216086; Eh | |||
 | 18-Mar-2019 | Adduct_urea_ON | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -1830.87583648; Eh | |||
 | 18-Mar-2019 | Adduct_triphenylguanidine_2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2503.60792561; Eh |
Results 131-140 of 148 (Search time: 0.001 seconds).
Discover
Subject