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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2024	ABN+3dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1822.1837915; 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
	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	adenine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-467.443528; Eh
	18-Apr-2024	tC-DEA_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1275.1174142; Eh
	18-Apr-2024	uracil+4H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-720.7866629; Eh
	13-Dec-2023	B12I11-C2H7N_TS_+0_+177	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-3710.19885264; Eh
	13-Dec-2023	B12I11-C2H7N_+177	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3710.20445031; Eh
	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

Results 19191-19200 of 19334 (Search time: 0.016 seconds).