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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	b3lyp-Ru-9-OOHREDOXED-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.22985936; Eh
	24-Feb-2019	Monoterpenes-51-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-388.0393193; Eh
	24-Feb-2019	Monoterpenes-49-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMP4SDTQ; RCCSD; RMP2-Full; RHF; G4	-	-388.1034847; Eh
	24-Feb-2019	Monoterpenes-46-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-388.1055565; Eh
	24-Feb-2019	Monoterpenes-47-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-388.0913754; Eh
	24-Feb-2019	Monoterpenes-48-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-388.0898877; Eh
	24-Feb-2019	Monoterpenes-50-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-388.052328; Eh
	24-Feb-2019	Monoterpenes-52-G4	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4	-	-387.9966832; Eh
	19-Nov-2018	/SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	-	-1612.70877963; Eh
	19-Nov-2018	/SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_SR-1reactant	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1612.75443853; Eh

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