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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Nov-2022	DMA_C2-C6_3_5_INT_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT	Ahmed, Yusef	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-QZVPP; def2-QZVPP/C	-1754.39349992; Eh
	21-Nov-2022	SCH3_C2-C6_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-2365.69211315; Eh
	21-Nov-2022	DMA_C2-C6_3_5_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.78436802; Eh
	21-Nov-2022	DMA_C4_3_3_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.09638221; Eh
	21-Nov-2022	DMA_C2-C6_3_5_reactant_MN15_def2-QZVPP_SMD_chloroform	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2QZVPP	-1760.70235327; Eh
	21-Nov-2022	DMA_C2-C6_3_5_product_MN15_def2-QZVPP_SMD_chloroform	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2QZVPP	-1760.73390431; Eh
	21-Nov-2022	NH2_C4_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1546.66086538; Eh
	21-Nov-2022	Parent_3_5_TS2_MN15_def2-SVP_SMD	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1491.39098581; Eh
	21-Nov-2022	DMA_C2-C5_3_3_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1758.72395652; Eh
	21-Nov-2022	NH2_C2-C5_3_3_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1601.85097902; Eh

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