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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Dec-2023	B12I11-C2H7N_+142	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.22303608; Eh
	13-Dec-2023	B12I11-C2H7N_+000	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.28251963; Eh
	13-Dec-2023	B12I11_C2H6S_+388	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-4052.95467848; Eh
	13-Dec-2023	B12I10SCN_N2_1-	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3877.84489597; Eh
	13-Dec-2023	B12I11_N2_1-	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3684.55047974; Eh
	18-Apr-2024	tC-MeO+4dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-2407.9389445; Eh
	18-Apr-2024	adenine+6H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-926.2349445; Eh
	18-Apr-2024	ABN+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1510.7165971; Eh
	18-Apr-2024	adenine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-467.4338502; Eh
	18-Apr-2024	ABN_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=water	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-898.9913379; Eh

Results 15471-15480 of 15537 (Search time: 0.014 seconds).