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ChemPhysChem
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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Jun-2026/Fe-CASPT2 POV_V_0_IV_5_11Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/Fe-CASPT2 POV_V_2_IV_3_09Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/Fe-CASPT2 POV_V_3_IV_2_08Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/CASPT2 POV_V_1_IV_5_SextetDalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/CASPT2 POV_V_1_IV_5_DoubletDalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/CASPT2 POV_V_1_IV_5_QuartetDalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/CASPT2 POV_V_2_IV_4_TripletDalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
Login required9-Jun-2026/CASPT2 POV_V_0_IV_6_TripletDalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, GenevieveMolcas; 24.10Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg11-Jun-2026SOS1-PBE-DH-INVEST_dZMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointTDDFTaug-cc-pVDZ; aug-cc-pVTZ/C-494.49649852; Eh
Results 397921-397930 of 397952 (Search time: 0.225 seconds).