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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2026	/Stoichiometric_Li LiTMPPMDETA	Le Roch, Mikaël; Tortajada Navarro, Andreu	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-937.09723136154241; Eh
	18-Feb-2026	Morph_Hydr_Top_Aligned	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-1346.587947; Eh
	18-Feb-2026	SDA_S_Mesyl	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1626.95095202; Eh
	18-Feb-2026	benzsulf_CH3NH	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-799.870142883; Eh
	20-Feb-2026	B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-781.564078389; Eh
	18-Feb-2026	O_SDA_Hydr_Flat	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-717.4435555; Eh
	18-Feb-2026	sulfonamidePh-	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-799.343628962; Eh
	18-Feb-2026	NH_SDA_Rotated	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-696.4888996; Eh
	20-Feb-2026	/Stoichiometric_Li IIIbLi	Le Roch, Mikaël; Tortajada Navarro, Andreu	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP	-918.68607223697541; Eh
	20-Feb-2026	/Stoichiometric_Na ITSNa	Le Roch, Mikaël; Tortajada Navarro, Andreu	Orca; 6.1.0; RELEASE	Geometry optimization TS	DFT	def2-TZVP	-1482.61368305682549; Eh

Results 383051-383060 of 397867 (Search time: 0.238 seconds).