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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_ccpVTZ-augccpVTZ-ccpVQZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVTZ AUG-CC-PVTZ CC-PVQZ	-1443.9079908; Eh
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1443.453159; Eh
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_pc1_smd	Pearce, Harrison	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	GEN	-1442.9915849; Eh
	13-Dec-2023	B12I10SCN_1S-e3_2CN	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.24509713; Eh
	13-Dec-2023	B12I10SCN+I	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-4066.05809474; Eh
	15-Dec-2023	B12I11H_H	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3576.15549677; Eh
	13-Dec-2023	1-2S_3CN_B12I9SCN_2-	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3470.43691453; Eh
	13-Dec-2023	1S_2CN-B12I10SCN_1-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.24509713; Eh
	13-Dec-2023	B12I11SCN_1-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-4066.17939378; Eh
	13-Dec-2023	B12I11_1-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3574.91871522; Eh

Results 19251-19260 of 19262 (Search time: 0.015 seconds).