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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Mar-2022	4a	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.30616151; Eh
	18-Mar-2022	3	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1371.83549715; Eh
	8-Sep-2021	Alk_SnMe3	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-430.812086091; Eh
	8-Sep-2021	I2-Pd0-ArF-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-2907.58838536; Eh
	8-Sep-2021	I1-Pd0-Alk-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1766.96475872; Eh
	8-Sep-2021	Pd-ArF-I	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2795.94585133; Eh
	8-Sep-2021	TS1-Pd-Alk-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1766.94168396; Eh
	22-Sep-2021	Li4EPc-4H2_optimized_structure	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	22-Sep-2021	Li4EPc_optimized_structure	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	23-Sep-2021	Optimized_structure_of_Li4EPc-8H2	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-

Results 241-250 of 885 (Search time: 0.001 seconds).