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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_EEisomer-NEW_axb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	6-31G(D,P) 6-31+G(D,P)	-1487.82487143; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_EEisomer_axb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	6-31G(D,P) 6-31+G(D,P)	-1487.82739139; Eh
	7-Nov-2024	/Fukui_indices_ ac_R	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-345.473420574; Eh
	7-Nov-2024	/Fukui_indices_ ac_Rb+e	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-345.5408349; Eh
	7-Nov-2024	/Fukui_indices_ anisoleb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-346.6710811; Eh
	21-Jul-2025	/full_M11_MWB60-6-311+Gdp_SMD-octanol input	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM11	6-311+G(D,P) MWB60 GEN	-3076.62785681; Eh
	13-Mar-2026	syn-TS1	Ni, Shao-Fei	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LANL2DZ 6-31G GENECP*	-1277.52443484; Eh
	13-Mar-2026	anti-I3	Ni, Shao-Fei	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1007.12244455; Eh
	13-Mar-2026	syn-TS3	Ni, Shao-Fei	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31G(D)	-1097.04816600; Eh
	13-Mar-2026	syn-P	Ni, Shao-Fei	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31G(D)	-896.305623730; Eh

Results 391521-391530 of 402241 (Search time: 0.211 seconds).