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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Oct-2023	H2Ni4(2e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.83994669; Eh
	9-Oct-2023	H2Ni4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.64661356; Eh
	9-Oct-2023	HNi4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.16299176; Eh
	9-Oct-2023	Ni4(2e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7853.82067940; Eh
	9-Oct-2023	Ni4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7853.67551210; Eh
	9-Oct-2023	RuIIbpy3_e	Penas, Francesc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-1579.56170257; 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

Results 21-30 of 211 (Search time: 0.002 seconds).