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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	OH_C4_35_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1566.50854539; Eh
	22-Nov-2022	DMA_C5_35_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.07532577; Eh
	22-Nov-2022	DMA_C8_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.04814246; Eh
	22-Nov-2022	SH_C2-C5_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-2287.21440531; Eh
	22-Nov-2022	Parent_35_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.41337613; Eh
	22-Nov-2022	DMA_C2-C6_Pd_coordination_coord_to_C4_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.76778397; Eh
	22-Nov-2022	OH_C4_35_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1566.50435617; Eh
	22-Nov-2022	DMA_C2-C6_3_5_reactant_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOI	Ahmed, Yusef	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-QZVPP; def2-QZVPP/C	-1754.41070795; Eh
	22-Nov-2022	DMA_C2-C6_3_5_TS2_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT	Ahmed, Yusef	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-QZVPP; def2-QZVPP/C	-1754.36875608; Eh
	22-Nov-2022	SCH3_C2_35_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1928.52686940; Eh

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