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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jun-2023 | pdms-ts-2water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2144.6773481; Eh | ||||
24-Jun-2023 | pdms-int-2water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2144.7245114; Eh | ||||
24-Jun-2023 | pdms-int-1water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2068.2858161; Eh | ||||
24-Jun-2023 | puu-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2563.8917881; Eh | ||||
24-Jun-2023 | puu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2563.8559345; Eh | ||||
24-Jun-2023 | peu-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2583.7598187; Eh | ||||
24-Jun-2023 | peu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2583.7163596; Eh | ||||
21-Feb-2023 | /M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-i-M-cis-M-cis_eqax_M06-2X_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RM062X | 6-31+G(D) | -2995.25202399; Eh | ||||
1-Sep-2023 | MK_RS7_Val | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.9590845; Eh | ||||
1-Sep-2023 | MK_RS8_Val | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.945571; Eh |
Results 241-250 of 260 (Search time: 0.002 seconds).