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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_8Li+_9e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2940.096467784; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_8Li+_8e-_Nface_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2944.240311796; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_6Li+_6e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2530.816706330; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_2Li+_2e-_3Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1704.000087624; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_4Li+_4e-_2Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2117.403151394; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_8Li+_9e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2944.311743401; Eh
	7-Feb-2026	/Ammonia_theozyme_models TS_Labda-en-cation-Product2	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31G(D,P)	-1298.95971168; Eh
	7-Feb-2026	/Product_3_formation TS_labda-en-cation-IntermediateA	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31G(D,P)	-1242.39433437; Eh
	7-Feb-2026	/Product_3_formation TS_IntermediateB1-IntermediateB2	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31G(D,P)	-1242.39858506; Eh
	7-Feb-2026	/Product_3_formation TS_IntermediateB2-IntermediateC	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31G(D,P)	-1242.38820455; Eh

Results 387111-387120 of 397867 (Search time: 0.232 seconds).