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. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Dec-2021 | MIN53 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.076982; Eh | ||||
1-Dec-2021 | PR101 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X; RCCSD | GEN AUG-CC-PVTZ | -269.7214081; Eh | ||||
1-Dec-2021 | PR193 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X; RCCSD | GEN AUG-CC-PVTZ | -269.7062239; Eh | ||||
1-Dec-2021 | TS528 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9751714; Eh | ||||
1-Dec-2021 | PR320 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -270.3226722; Eh | ||||
1-Dec-2021 | TS86 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.0230204; Eh | ||||
1-Dec-2021 | CN | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -92.5699174; Eh | ||||
1-Dec-2021 | MIN68 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.0691519; Eh | ||||
1-Dec-2021 | TS229 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3130307; Eh | ||||
1-Dec-2021 | PR3 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X; RCCSD | GEN AUG-CC-PVTZ | -269.7062157; Eh |
Results 2941-2950 of 3111 (Search time: 0.005 seconds).
Discover
Subject
- 1360 Homogeneous catalysis
- 1089 Carbon dioxide fixation
- 832 Reaction mechanisms
- 723 Alcohols
- 701 Aluminum
- 701 Cyclic carbonates
- 701 Epoxy-alcohols
- 701 Glycidol
- 701 IR spectroscopy
- 701 NMR spectroscopy
- next >
Calculation type