Browsing by Subject Formate rearrangement
Showing results 41 to 60 of 115
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | /Endo_Nm 7a-Nm | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0516911; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 8a | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0546123; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 8a(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.141433; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 9a(+)-Nm | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.525636; 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_Nm TS-1 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3688.5515132; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-10 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.509125; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-11 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.1437752; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-12 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3689.1328866; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-13 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.1382342; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-14 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.1582866; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-15 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.9381505; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-2 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.3494189; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-3 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0268394; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-33 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3235.546194; Eh | |||
 | 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_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 TS-4 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.034536; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-5 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3689.0424013; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-6 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0506356; Eh |