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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2021	TS-2B_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2278.65584418; Eh
	29-Sep-2021	TS5_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.51520490; Eh
	29-Sep-2021	TS-3A_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.48872087; Eh
	29-Sep-2021	TS1_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.50007877; Eh
	1-Dec-2021	TS59	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3539348; Eh
	1-Dec-2021	TS9	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3959771; Eh
	1-Dec-2021	TS328	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3074278; Eh
	1-Dec-2021	TS149	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3823922; Eh
	1-Dec-2021	TS458	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0046898; Eh
	1-Dec-2021	TS55	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0335604; Eh

Results 551-560 of 616 (Search time: 0.003 seconds).