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. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Jul-2018 | /M06_calculations bh_Cl | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -460.365146642; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_4_c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1816.16258924; Eh | ||||
13-Jul-2018 | /M06_calculations bh_c7 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1929.54549844; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c4_c10 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1470.93539337; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c8_c9 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1777.97572387; Eh | ||||
13-Jul-2018 | /M06_calculations bh_int1 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1740.21888844; Eh | ||||
13-Jul-2018 | /M06_calculations bh_int4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1587.61719130; Eh | ||||
13-Jul-2018 | /M06_calculations bh_c3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1588.07568608; Eh | ||||
13-Jul-2018 | /M06_calculations bh_H2O2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -151.535492574; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_O2_S_H_c6 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1849.88095087; Eh |
Results 31-40 of 45 (Search time: 0.001 seconds).
Discover
Subject