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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters pentazine_optS1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/default_parameters heptazine_optS0	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/default_parameters pentazine_optS1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/default_parameters cyclazine_optS2	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/RMS-CASPT2/optimizations pentazine_optS1S2	Pires-Valverde, Danillo	Molcas; v23.02	Geometry optimization	CASSCF; CASPT2	DEF2-TZVP	-
	20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_6	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
	20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters cyclazine_optS1T1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters pentazine_optS1T1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/default_parameters heptazine_optS1S2	Pires-Valverde, Danillo	Orca; 5.0.4; RELEASE	Geometry optimization	-	-	-
	20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters pentazine_optS0	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-

Results 61-70 of 92 (Search time: 0.003 seconds).