Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Apr-2021 | /models_type1/species_3 quartet_tzvp | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVP | -2554.40581517; Eh | ||||
30-Apr-2021 | /models_type2/species_B sextet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -2553.25843436; Eh | ||||
30-Apr-2021 | /models_type2/species_X singlet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | DEF2SV DEF2SVP GEN | -2683.54068937; Eh | ||||
30-Apr-2021 | /models_type2/species_1 quartet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SV DEF2SVP GEN | -2782.84952390; Eh | ||||
30-Apr-2021 | /models_type2/species_3 doublet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SV DEF2SVP GEN | -2781.91151773; Eh | ||||
30-Apr-2021 | /models_type1/species_2a doublet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SV DEF2SVP GEN | -2553.27925697; Eh | ||||
30-Apr-2021 | /models_type1/species_2b sextet_sv-p | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SV DEF2SVP GEN | -2553.25992109; Eh | ||||
30-Apr-2021 | /models_type0/species_1_and_2b sextet_tzvp | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVP | -2385.54803182; Eh | ||||
30-Apr-2021 | /models_type2/species_A sextet_tzvp | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVP | -2555.35845837; Eh | ||||
30-Apr-2021 | /models_type1/species_B quartet_tzvp | Mariusz, Radon | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVP | -2478.41387245; Eh |
Results 101-110 of 116 (Search time: 0.001 seconds).
Discover
Subject
- 116 Metalloenzymes
- 116 Porphyrinoids
- 116 Reaction mechanisms
- 116 Spin crossover
- 116 Tautomerism
Program name
- 116 Gaussian