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_TS_c4_OAc_c5 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1699.53255880; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c8_c9_OAc | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -2006.57663628; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c6_c7 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1929.52138393; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c7_c9 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1929.52685067; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_1_Cl | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1968.76813804; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_3_OAc | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1736.97024286; Eh | ||||
13-Jul-2018 | /M06_calculations bh_c5 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1470.49672779; Eh | ||||
13-Jul-2018 | /M06_calculations bh_TS_c3_c4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1816.63902692; Eh | ||||
13-Jul-2018 | /M06_calculations bh_int2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -615.295723485; Eh | ||||
13-Jul-2018 | /M06_calculations bh_c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-311++G** | -1816.18271037; Eh |
Results 11-20 of 120 (Search time: 0.001 seconds).
Discover
Subject