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. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Jun-2019 | /OPTFREQ TS_A4PA5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.15249285; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A4A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | cc-pVDZ | -4020.10393955; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A4A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.10513394; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A2A3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3674.25695814; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A3PPA4P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.16967765; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A3A4P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.08931793; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A2A3PP_ENDO | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.08087398; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A3A4P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.08479574; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A2A3PP_EXO | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.08043852; Eh | ||||
12-Jun-2019 | /OPTFREQ TS_A3PB1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3674.24887146; Eh |
Results 51-60 of 445 (Search time: 0.001 seconds).
Discover
Subject
Date issued
- 1 2023