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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Oct-2022	/template-1/int6-a int6-a_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3126.54798965; Eh
	5-Oct-2022	/template-1/int6-a int6-a_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3126.54377321; Eh
	5-Oct-2022	/template-1/int6 int6_FBIAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN DEF2TZVPP	-3130.0736472; Eh
	5-Oct-2022	/template-1/int7 int7_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3126.58657224; Eh
	5-Oct-2022	/template-1/int5 int5_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3126.57936193; Eh
	28-Feb-2024	Substrate_6-membered-ring	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP	-514.990230795; Eh
	28-Feb-2024	Substrate	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP	-710.181708586; Eh
	28-Feb-2024	TS3	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1200.39889345; Eh
	28-Feb-2024	TS7	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1525.65211560; Eh
	28-Feb-2024	TS6	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1525.64903168; Eh

Results 281-290 of 470 (Search time: 0.002 seconds).