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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2024	uracil+4H2O_tdb3_ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ	-720.6545616; Eh
	18-Apr-2024	uracil+4H2O_tdcamb3_tzvp_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	TZVP	-720.6400021; Eh
	18-Apr-2024	uracil+4H2O_tdcamb3_pc1_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	GEN	-720.2336533; Eh
	18-Apr-2024	tCo-CN+6H2O_tdwb_tzvp_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RwB97XD; TD-FC	TZVP	-1290.3059231; Eh
	18-Apr-2024	uracil+4H2O_tdb3_tzvp_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	TZVP	-720.919834; Eh
	18-Apr-2024	uracil+4H2O_tdb3_pc1_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	GEN	-720.5123832; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1733.8987312; 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-H+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1674.1850497; 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

Results 31-40 of 92 (Search time: 0.001 seconds).