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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Oct-2022	/Si-H_vibrations III	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.12818576; Eh
	20-Jul-2022	/triplet_state Bach_iPr_TA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0069819; Eh
	20-Jul-2022	/triplet_state Bach_iPr_TT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0249288; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0206186; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4319.9902614; Eh
	21-Mar-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad_isomer V6-Ad_VDE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-8981.6207404; Eh
	21-Mar-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad_isomer V6-Ad_ADE	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVPP	-
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_b3lyp_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	DEF2TZVP	-2953.8792277; Eh
	8-Jan-2024	im1-trans-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5905738; Eh
	8-Jan-2024	im2-trans-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5866853; Eh

Results 571-580 of 619 (Search time: 0.001 seconds).