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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	TS476	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9745662; Eh
	1-Dec-2021	TS17	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3870773; 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	MIN678	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3339593; Eh
	1-Dec-2021	MIN10	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1255514; Eh
	1-Dec-2021	MIN3	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.515363; Eh
	1-Dec-2021	MIN2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1750522; Eh
	1-Dec-2021	PR557	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-269.032978; Eh
	1-Dec-2021	TS65	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.4119708; Eh
	1-Dec-2021	TS128	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.993761; Eh

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