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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2023	Cu-3	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06L	SDD 6-31G(D,P) GEN	-7040.04150690; 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
	18-Apr-2024	tC-H+4dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-2293.3931123; Eh
	18-Apr-2024	tC-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1177.0058375; Eh
	18-Apr-2024	tC-DEA_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1275.1088108; Eh
	18-Apr-2024	tC-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1177.0155607; Eh
	18-Apr-2024	tC-H_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1062.4697626; Eh
	23-Apr-2024	BioIIItsFRAGS_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RmPW1PW91	6-31+G(D,P)	-579.006904063; Eh
	28-Feb-2024	SP_p_NO2	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP	-915.5191892; Eh

Results 7721-7730 of 7940 (Search time: 0.007 seconds).