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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	TD-CAM_B3LYP_Int-III	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2697.2918367; Eh
	7-Mar-2023	TD-CAM_B3LYP_Int-II	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2697.3081993; Eh
	7-Mar-2023	TD-CAM-B3LYP_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2773.7756335; Eh
	7-Mar-2023	BnCH3ClN	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-825.812654779; Eh
	31-Jul-2023	/M_N_SACs/M_sq_C4N2_C5N0/Co_sq_C4N2_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.52436405; eV
	7-Mar-2023	PhCOCl	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-805.204711619; Eh
	31-Jul-2023	/M_N_SACs/M_sq_C4N2_C5N0/Cd_sq_C4N2_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.03230898; eV
	7-Mar-2023	Int-VIi-N	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-2170.42431134; Eh
	7-Mar-2023	VOSO4_3H2O	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1075.47251132; Eh
	7-Mar-2023	Int-II	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1901.31372299; Eh

Results 29511-29520 of 101953 (Search time: 0.02 seconds).