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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Apr-2024 | Cargill2ndTSaHb_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -855.618515046; Eh | |||
 | 11-Apr-2024 | Cargill2ndTSbHc_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -855.616007096; Eh | |||
 | 11-Apr-2024 | CargillTSaConf1AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80947238; Eh | |||
 | 11-Apr-2024 | CargillTSaConf0AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80947238; Eh | |||
 | 11-Apr-2024 | CargillTSbConf0AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80888181; Eh | |||
 | 11-Apr-2024 | CargillTSaConf2AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80643574; Eh | |||
 | 11-Apr-2024 | CargillTSbConf2AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80613064; Eh | |||
 | 11-Apr-2024 | CargillTSbMeCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -2058.15797224; Eh | |||
 | 11-Apr-2024 | CargillTSaMeCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -2058.15691424; Eh | |||
 | 11-Apr-2024 | CargillTSaH_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -855.598156540; Eh |
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