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. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 95 (Search time: 0.002 seconds).
Discover
Subject