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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	4a_opt_dmf	Limburg, Bart; Duran, Jordi; Companyó, Xavier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-1276.68492985; Eh
	10-Sep-2025	5g_opt_dmf	Limburg, Bart; Duran, Jordi; Companyó, Xavier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-345.401806405; Eh
	18-Feb-2026	SDA_S_Silane	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1447.88767320; Eh
	18-Feb-2026	benzenesulfO_O-	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-779.990205389; Eh
	18-Feb-2026	benzenesulfonamide-	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-835.281538919; Eh
	18-Feb-2026	SDA_O_H+2	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1257.23179513; Eh
	18-Feb-2026	SIA_S-	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1344.96994601; Eh
	18-Feb-2026	imidazole	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-226.081796804; Eh
	18-Feb-2026	aniline	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-287.434216715; Eh
	20-Feb-2026	/Stoichiometric_Na NaTMPPMDETA	Le Roch, Mikaël; Tortajada Navarro, Andreu	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-1091.96399803493500; Eh

Results 383041-383050 of 397867 (Search time: 0.236 seconds).