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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh
	7-Sep-2022	TS-BC	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-781.756806074; Eh
	7-Sep-2022	TS-AB	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-781.727000316; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) TS1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1341.72211732; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) TS2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1265.23915135; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) TS3	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1265.26069254; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) TS5	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1569.59773068; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) TS4	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1265.25437108; Eh
	6-Nov-2023	Zr6cluster_4oh_ts	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2702.33995662; Eh
	13-Jul-2023	1-B10Br9(CO)_to_2-B10Br9(CO)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	DEF2QZVPP	-23530.7725527; Eh

Results 81-90 of 207 (Search time: 0.001 seconds).