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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2024	/model_system IM_H-trans-chair-in-1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-1553.81377778; Eh
	18-Apr-2024	adenine+3dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1390.6375385; Eh
	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	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	tC-DEA+6H2O_tdb3_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1733.7866455; Eh
	18-Apr-2024	tCo-CN+6H2O_tdb3_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1290.4461351; Eh
	18-Apr-2024	tCo-CN+6H2O_tdb3_ccpVTZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVTZ	-1290.7412709; Eh
	18-Apr-2024	uracil+4H2O_tdb3_ccpVTZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVTZ	-720.9181408; Eh
	18-Apr-2024	tC-DEA+4dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-2506.045485; Eh
	18-Apr-2024	tC-MeO+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1788.7262487; Eh

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