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Collection hits:

Collection Name
ChemPhysChem

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2026	/CASPT2 POV_V_1_IV_5_Quartet	Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, Genevieve	Molcas; 24.10	Single point	CASSCF; CASPT2	ANO-RCC	-
	9-Jun-2026	/CASPT2 POV_V_2_IV_4_Triplet	Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, Genevieve	Molcas; 24.10	Single point	CASSCF; CASPT2	ANO-RCC	-
	9-Jun-2026	/CASPT2 POV_V_0_IV_6_Triplet	Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, Genevieve	Molcas; 24.10	Single point	CASSCF; CASPT2	ANO-RCC	-
	11-Jun-2026	SOS1-PBE-DH-INVEST_dZ	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	TDDFT	aug-cc-pVDZ; aug-cc-pVTZ/C	-494.49649852; Eh
	11-Jun-2026	PBE-DH-INVEST_dZ	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	TDDFT	aug-cc-pVDZ; aug-cc-pVTZ/C	-494.49649845; Eh
	11-Jun-2026	PBE-DH-INVEST_tZ	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	TDDFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-494.60264016; Eh
	11-Jun-2026	PBE-QIDH-NL_ad_me	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-428.85942959; Eh
	11-Jun-2026	PBE-QIDH-NL_p_me	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-233.92811212; Eh
	11-Jun-2026	PBE-QIDH-NL_p	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	RKS	def2-QZVP; AutoAux	-194.05385218; Eh

Results 397881-397890 of 397899 (Search time: 0.289 seconds).