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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-May-2019 | Ru-6-O4d-dispb | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1438.97224816; Eh | |||
 | 7-May-2019 | tpssh-Ru-9-OOH-LS-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -2059.19933430; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 10a(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.1503457; Eh | |||
 | 22-Nov-2022 | /Exo TS-31 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0482571; Eh | |||
 | 22-Nov-2022 | /Endo_Ns TS-18 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.028401; Eh | |||
 | 22-Nov-2022 | /Small_Molecules HCOOH | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP GEN | -189.8547544; 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_Ns TS-22 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3877.7019052; Eh | |||
 | 22-Nov-2022 | /Endo_Ns 9a(+)-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.5287671; Eh |
Results 1881-1890 of 2164 (Search time: 0.003 seconds).