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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	TS99	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0087215; Eh
	1-Dec-2021	TS82	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3728909; Eh
	1-Dec-2021	TS14	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0578445; Eh
	1-Dec-2021	PR155	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-323.8857545; Eh
	1-Dec-2021	CH2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-39.0645694; Eh
	1-Dec-2021	MIN61	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.4313039; Eh
	1-Dec-2021	MIN55	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.4217135; Eh
	1-Dec-2021	MIN321	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3710588; Eh
	1-Dec-2021	MIN203	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3853907; Eh
	1-Dec-2021	TS452	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9813531; Eh

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