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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jun-2021 | /initial_complexes Complex_3_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1771.62565844; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_6_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1938.12753302; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_16_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1937.14184663; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_16_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1936.72702227; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_3_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1771.22460343; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_7_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -3470.81416000; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_6_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1937.68832614; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_10_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -373.775142554; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_10_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -374.064369014; Eh | ||||
30-Jun-2021 | /initial_complexes Complex_17_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -2133.58900411; Eh |
Results 41-50 of 168 (Search time: 0.002 seconds).