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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Nov-2018	/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB2_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization TS	RDFTB	-	-85.4203443410; Eh
	22-Nov-2022	CH3_C4_33_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1530.59971899; Eh
	4-Jun-2018	TS13-18DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1856.39637275; Eh
	22-Nov-2022	NH2_C2_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1546.63138600; Eh
	4-Jun-2018	TSCNDMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-249.524634543; Eh
	22-Nov-2022	OCH3_C2-C6_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1719.98335072; Eh
	22-Nov-2022	DMA_C1_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.03998622; Eh
	22-Nov-2022	OCH3_C2-C5_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1719.98496833; Eh
	19-Nov-2018	/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization TS	RDFTB	-	-85.1056353069; Eh
	19-Nov-2018	/RS_1_to_RRS_1_Semiempirical RS-1toRRS-2_PM6_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPM6	-	-0.369808640463; Eh

Results 301-310 of 1376 (Search time: 0.002 seconds).