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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Aug-2021 | Ru_3a1_9_O5 | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1595.53769752; Eh | |||
 | 28-Aug-2021 | Ru_31a_13_oh4_LSb | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1879.22337971; Eh | |||
 | 28-Aug-2021 | Co_31a_23_O5_LS_fromHS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | - | |||
 | 28-Aug-2021 | Cr_pbp_3_VAC_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1624.15839445; Eh | |||
 | 28-Aug-2021 | Cr_32a_35_O5b | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1313.24943609; Eh | |||
 | 28-Aug-2021 | Mn_31a_24_O5 | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1358.90393825; Eh | |||
 | 27-Aug-2021 | Fe_pbp_3_VAC_HS_calcfc | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1661.26629945; Eh |
Results 1-7 of 7 (Search time: 0.001 seconds).