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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Dec-2023	neutral_geom_9e18o_quartet	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF	ANO-RCC	-
	6-Dec-2023	anion_geom_10e18o_triplet	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF	ANO-RCC	-
	6-Dec-2023	neutral_quartet_point4	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF; CASPT2	ANO-RCC	-
	6-Dec-2023	neutral_quartet_point5	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF; CASPT2	ANO-RCC	-
	6-Dec-2023	anion_triplet_point5	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF; CASPT2	ANO-RCC	-
	6-Dec-2023	anion_quintet_point5	Vlaisavljevich, Bess	Molcas; 23.02	Single point	CASSCF; CASPT2	ANO-RCC	-
	6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.337958590; Eh
	6-Dec-2023	adf-pbe0-d3	Vlaisavljevich, Bess	AMS; 2022.103; r104886	Single point	PBE	TZP	-1.813858; eV
	6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-829.9372861487; Eh
	6-Dec-2023	adf-pbe0	Vlaisavljevich, Bess	AMS; 2022.103; r104886	Single point	PBE	TZP	-1.563540; eV

Results 351-360 of 382 (Search time: 0.002 seconds).