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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2026	18_FREQ_M06L_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1600.61206356151729; Eh
	18-Feb-2026	43_FREQ_TPSSh_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1652.98570125296169; Eh
	18-Feb-2026	33_FREQ_OPBE_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1577.27072401516989; Eh
	18-Feb-2026	31_FREQ_TPSSh_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1503.71384994500204; Eh
	18-Feb-2026	31_FREQ_M06_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1503.10372277963234; Eh
	18-Feb-2026	33_FREQ_LibXC_MN15__DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	-	DEF2-TZVP; CPCM(DMSO); def2/j	-1576.54115112422915; Eh
	10-Sep-2025	2a_opt_dmf	Limburg, Bart; Duran, Jordi; Companyó, Xavier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-600.444606683; Eh
	18-Feb-2026	Morph_Hydr_Bottom_Aligned	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-1346.5882418; Eh
	18-Feb-2026	SIA_S_N2H+	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1345.91685367; Eh
	18-Feb-2026	SDA_S_H+1	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1580.21231032; Eh

Results 382301-382310 of 397899 (Search time: 0.236 seconds).