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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_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+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
	13-Dec-2023	B12I8SCN_1SCN_2-3-5X_e5	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3172.41975412; Eh
	13-Dec-2023	B12I10SCN_1S-e3_2NC	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.23260862; Eh
	13-Dec-2023	B12I10SCN-1SCN-2X_e2	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.21173343; Eh
	13-Dec-2023	B12I8SCN_12S-3CN-4X	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3172.47992850; Eh
	13-Dec-2023	B12I10SCN-1NCS-2X	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.24052159; Eh
	13-Dec-2023	B12I8SCN_123S-4NC	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3172.51321310; Eh
	13-Dec-2023	B12I8SCN_123S-5CN	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3172.52711067; Eh

Results 15481-15490 of 15537 (Search time: 0.013 seconds).