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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Mar-2019	Adduct_urea_ON	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1830.87583648; Eh
	18-Mar-2019	Adduct_triphenylguanidine_2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2503.60792561; Eh
	12-May-2022	CO-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2272.75255402; Eh
	12-May-2022	PMe3-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2620.52251722; Eh
	27-Sep-2021	SCO_TPSSh_S18_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP	-2832.38207813; Eh
	12-May-2022	PPh3-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3195.55058698; Eh
	12-May-2022	N2-dimer-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-4428.41286713; Eh
	27-Sep-2021	SCO_SO_HighSpin_1_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UBLYP	DEF2TZVP	-2290.48396690; Eh
	27-Sep-2021	SCO_SO_HighSpin_1_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UBLYP	DEF2TZVP	-2290.47977684; Eh
	12-May-2022	MeCN-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2292.16148056; Eh

Results 131-140 of 143 (Search time: 0.002 seconds).