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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jan-2019 | /Gas_Opt/M06_2X/Int1/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1501.9059335; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/IC/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1490.3829328; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/FC/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1678.9856348; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/CC/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -499.594888; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/Reactants/Cat/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1179.3427483; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/Int2_l/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1690.4942457; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/Int2/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1690.4938476; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/Reactants/CO2/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -188.5726473; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/TS1/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1501.8821659; Eh | ||||
30-Jan-2019 | /Gas_Opt/M06_2X/TS2/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311G** | -1690.479986; Eh |
Results 1-10 of 21 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 21 Gaussian