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Browsing by Subject Porphyrins

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Showing results 1 to 4 of 4

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jul-2025	TCPP	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	6-311++G(D,P) GEN	-2667.17416487; Eh
	4-Jul-2025	TCPP-TDDFT	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Single point Structure	RB3LYP; TD-FC	6-311++G(D,P) GEN	-2667.1741649; Eh
	4-Jul-2025	TCPPCl8	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	6-311++G(D,P) GEN	-6344.12203438; Eh
	4-Jul-2025	TCPPCl8-TDDF	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Single point Structure	RB3LYP; TD-FC	6-311++G(D,P) GEN	-6344.1220344; Eh

Showing results 1 to 4 of 4