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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	OCH3_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.67947008; Eh
	22-Nov-2022	NH2_C2-C5_35_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1601.88915929; Eh
	22-Nov-2022	NH2_C2-C5_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1601.87208627; Eh
	22-Nov-2022	OCH3_C2_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.67168316; Eh
	22-Nov-2022	phenyl_C4_33_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1721.97664986; Eh
	22-Nov-2022	DMA_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.06440360; Eh
	22-Nov-2022	DMA_C7_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.04125737; Eh
	22-Nov-2022	DMA_C3_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.03359591; Eh
	22-Nov-2022	DMA_C2-C6_Pd_coordination_coord_to_N_on_C6_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.79233251; Eh
	22-Nov-2022	Parent_Pd_coordination_coord_to_diene_1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.41256783; Eh

Results 41-50 of 706 (Search time: 0.001 seconds).