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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | CargillTSbConf1AlMe2Cl_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1637.80888181; 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 | CargillTSbHRedo_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -855.602579890; Eh | |||
 | 11-Apr-2024 | CargillepoxoniumAlCl2AltConf_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.20567258; Eh | |||
 | 11-Apr-2024 | CargillfinalprodbAlCl2altconf_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.23102406; Eh | |||
 | 11-Apr-2024 | CargillfinalprodaAlCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.23255224; Eh | |||
 | 11-Apr-2024 | CargillfinalprodbAlCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.23311711; Eh | |||
 | 11-Apr-2024 | CargillepoxoniumAlCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.20502056; Eh |
Results 1-10 of 22 (Search time: 0.001 seconds).