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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	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	tCo-CN+6H2O_tdb3_ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ	-1290.3050095; Eh
	13-Dec-2023	1-2S_3CN_B12I9SCN_2-	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3470.43691453; Eh
	13-Dec-2023	1S_2CN-B12I10SCN_1-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3768.24509713; Eh
	13-Dec-2023	B12I11SCN_1-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-4066.17939378; Eh
	13-Dec-2023	B12I12_2-	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3872.88582669; Eh
	5-Mar-2024	/main/substituted_derivatives Azapentalene_17	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-3166.11350735; Eh

Results 15521-15530 of 15570 (Search time: 0.105 seconds).