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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2021	Optimized_structure_of_Li4EPc-4H2	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	23-Sep-2021	Optimized_structure_of_Li4EPc	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	23-Sep-2021	Li4EPc-8H2_optimized_structure	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	23-Sep-2021	Li4EPc-4H2_optimized_structure	Poddar, Arpita	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	12-May-2022	PPh3-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3195.550587; Eh
	12-May-2022	CO-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2272.752554; Eh
	12-May-2022	N2-dimer-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-4428.4128671; Eh
	12-May-2022	PMe3-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2620.5225172; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR-product-solv_scanCHb_ts1b	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2746.42525369; Eh
	12-May-2022	MeCN-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2292.1614806; Eh

Results 31-40 of 115 (Search time: 0.001 seconds).