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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	NH2_C2-C6_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1601.89928747; Eh
	21-Nov-2022	OCH3_C2_3_3_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1605.71734159; Eh
	21-Nov-2022	OCH3_C2_3_5_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.67946941; Eh
	21-Nov-2022	SH_C2-C6_3_5_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-2287.28023147; Eh
	21-Nov-2022	OCH3_C4_3_5_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1605.72360615; Eh
	21-Nov-2022	DMA_C5_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.07532577; Eh
	21-Nov-2022	SCH3_C2_3_5_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1928.56710570; Eh
	21-Nov-2022	DMA_C2-C6_Pd_coordination_coord_to_N_on_C2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.77694660; Eh
	21-Nov-2022	DMA_C2-C6_3_5_TS2_MN15_def2-QZVPP_SMD_chloroform	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2QZVPP	-1760.69886721; Eh
	27-Jul-2023	9_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-368.163756373; Eh

Results 391-400 of 531 (Search time: 0.001 seconds).