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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	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_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-898.986997; Eh
	18-Apr-2024	carbostyril_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-571.9978706; Eh
	18-Apr-2024	cytosine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-395.0504332; Eh
	18-Apr-2024	guanine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-542.7102231; Eh
	18-Apr-2024	tC-DEA+6H2O_tdwb_ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD; TD-FC	CC-PVDZ	-1733.2389523; Eh
	18-Apr-2024	tCo-CN+6H2O_tdb3_ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ	-1290.3050095; Eh
	21-Apr-2024	ES	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization Minimum	RM06L; TD-FC	DEF2SVP DEF2SVP/W06	-1862.19298871; 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-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

Results 14801-14810 of 14818 (Search time: 0.014 seconds).