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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Nov-2022 | /Endo_Nm TS-34 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP | -3874.66819543; Eh | ||||
22-Nov-2022 | /Endo_Ns TS-19 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3689.0387836; Eh | ||||
22-Nov-2022 | /Endo_Nm TS-35 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.6096073; Eh | ||||
22-Nov-2022 | /Endo_Nm 9a-Nm | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.6192168; Eh | ||||
22-Nov-2022 | /Endo_Ns TS-16 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3688.5493688; Eh | ||||
22-Nov-2022 | /Endo_Ns TS-17 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.3387855; Eh | ||||
22-Nov-2022 | /Endo_Ns 3a-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.3771472; Eh | ||||
22-Nov-2022 | /Endo_Ns TS-21 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.8309501; Eh | ||||
22-Nov-2022 | /Endo_Ns TS-25 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.9350153; Eh | ||||
22-Nov-2022 | /Endo_Ns 6a(+)-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.8559042; Eh |
Results 81-90 of 115 (Search time: 0.002 seconds).
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Subject
- 115 CO2 addition
- 115 CO2 insertion
- 115 Proton transfer
- 115 Protonation
Program name
- 115 Gaussian
Calculation type