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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_9	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_0	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_2	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_1	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters pentazine_optT1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_8	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_7	Pires-Valverde, Danillo	TURBOMOLE; 7.5.0	Single point	ADC(2)	def2-TZVP	-
20-Mar-2024	/SCS-ADC2/optimizations/default_parameters cyclazine_optS0S1	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters heptazine_optS0	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-
20-Mar-2024	/SCS-ADC2/optimizations/modified_SCS_parameters cyclazine_optS0	Pires-Valverde, Danillo	Orca; 4.2.1; RELEASE	Geometry optimization	-	-	-

Results 51-60 of 92 (Search time: 0.002 seconds).