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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2021	TS167	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9590808; Eh
	1-Dec-2021	TS190	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.018416; Eh
	1-Dec-2021	TS7	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.073434; Eh
	29-Sep-2021	TS-3A_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.48717985; Eh
	29-Sep-2021	TS-3B_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.50428397; 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	TS476	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9745662; Eh
	1-Dec-2021	TS334	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.981249; 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	TS2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1005952; Eh

Results 581-590 of 625 (Search time: 0.002 seconds).