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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_Ns 7a-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0386042; Eh | |||
 | 22-Nov-2022 | /Small_Molecules H2 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP | -1.17490084045; Eh | |||
 | 22-Nov-2022 | /Exo TS-30 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3877.2220358; Eh | |||
 | 22-Nov-2022 | /Endo_Ns TS-20 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.031037; 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 | /Small_Molecules HCOO(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP GEN | -189.3801857; Eh | |||
 | 22-Nov-2022 | /Small_Molecules CO2 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP GEN | -188.6692328; 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 CF3CH2OCO2(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP GEN | -641.1794125; Eh |
Results 21-30 of 99 (Search time: 0.003 seconds).