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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Jul-2023	6_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-328.897003380; Eh
28-Jul-2023	10_protonated	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-290.123542655; Eh
28-Jul-2023	9_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-368.163756373; Eh
28-Jul-2023	no_lysine_mechanism_INT1	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-1897.81005991; Eh
28-Jul-2023	lysine_mechanism_TS2	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	DEF2SVP	-2394.77121532; Eh
28-Jul-2023	lysine_mechanism_INT4	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-2394.33039141; Eh
28-Jul-2023	lysine_mechanism_INT2	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-2394.77214847; Eh
28-Jul-2023	lysine_mechanism_TS1	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	DEF2SVP	-2394.74465236; Eh
28-Jul-2023	21_protonated	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-248.449049906; Eh
28-Jul-2023	16_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-115.577835456; Eh

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