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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Apr-2024 | IM9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G** SDD GENECP | -11220.5654387; Eh | |||
 | 30-Apr-2024 | IM6_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G(D,P) | -920.728854825; Eh | |||
 | 30-Apr-2024 | IM7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G(D,P) | -920.709159113; Eh | |||
 | 30-Apr-2024 | IM8 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | GENECP | -11220.5813606; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_3 _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1769.1300668; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_1 _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1462.1655197; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_1 _GO_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1462.1546436; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_0 _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1308.6696431; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_0 _GO_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1308.6122518; Eh | |||
 | 2-May-2024 | /calcs/02_Protected_Couplers/01_R2_DPA/03_PDM/05_MESITYL _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -5835.13636267; Eh |
Results 213151-213160 of 213593 (Search time: 0.176 seconds).
Discover
Subject
- 1120 Homogeneous catalysis
- 1082 Density functional calculations
- 837 Water splitting
- 342 C-H activation
- 214 Reaction mechanisms
- 213 Palladium
- 188 Aromaticity
- 188 Metathesis
- 188 Olefin metathesis
- 188 Olefination
- next >