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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Feb-2026	/SPS_EXT_PAH2 SPS_3Li+_4e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2456.463056603; Eh
	6-Feb-2026	/SPVP_TRUNC_PAH1 SPVP_6Li+_6e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2683.282660595; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-CF3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-677.379275505; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-Fortho	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-439.626483910; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-Cl	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-799.996777200; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-CF3b	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-677.4681706; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-Forthob	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-439.7059423; Eh
	7-Nov-2024	/Fukui_indices_ py-CN-Clb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-800.0751065; Eh
	7-Nov-2024	/Fukui_indices_ py-CO	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-361.506139639; Eh
	7-Nov-2024	/Fukui_indices_ py-COMeb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-400.8889028; Eh

Results 390881-390890 of 402284 (Search time: 0.217 seconds).