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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Aug-2023	aQuartet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.81789256; Eh
	17-Aug-2023	gDoublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.90477024; Eh
	17-Aug-2023	aDoublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.81766554; Eh
	17-Aug-2023	gQuartet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.89079055; Eh
	17-Aug-2023	4doublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.81166105; Eh
	17-Aug-2023	TS4toa_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.77099523; Eh
	17-Aug-2023	FeOHanionradicalCHCl3_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-1626.1318382; Eh
	17-Aug-2023	FeOHinCHCl3_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-1625.9774787; Eh
	17-Aug-2023	fDoublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.83935341; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4a_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-7824.8885865; Eh

Results 601-610 of 619 (Search time: 0.002 seconds).