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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Apr-2024	Ni_bpy_bpy_bpy_2+_M=3_G16_B3LYP+GD3BJ;def2TZVPP;SF_	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-2994.94323735; Eh
	16-Apr-2024	Ni_bpy_bpy_bpy_2+_M=3_G16_B3LYP+GD3BJ;def2SVPP;SF_	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2SVPP	-2993.07971889; Eh
	16-Apr-2024	Ni_bpy_bpy_2+_M=3_G16_B3LYP+GD3BJ;def2TZVPP;SF_	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-2499.20799146; Eh
	16-Apr-2024	Ni_bpy_bpy_2+_M=3_G16_B3LYP+GD3BJ;def2SVPP;SF_	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2SVPP	-2497.89259208; Eh
	13-Dec-2023	1-2-3S_5CN_10X_B12I7SCN_1-_R	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-2874.61098713; Eh
	13-Dec-2023	1-2S_3CN_B12I9SCN_1-_R	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3470.37086678; Eh
	13-Dec-2023	B12I11_CH3S	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-4013.15396870; Eh
	13-Dec-2023	B12I11_2-_R	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3574.96765488; Eh
	31-Jan-2024	/NLO_props C3PLi_NLOPs	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	6-31+G(D) 6-31G(D) GEN	-752.3250279; Eh
	31-Jan-2024	/NLO_props C4PLi_NLOPs	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	6-31+G(D) 6-31G(D) GEN	-1000.635465; Eh

Results 831-840 of 840 (Search time: 0.002 seconds).