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Showing results 1 to 18 of 18

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2019	1Int-cis_bis	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-1423.06036328; Eh
	17-Jul-2019	adduct	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1055.84111585; Eh
	17-Jul-2019	BnepBenzene	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-524.948316906; Eh
	17-Jul-2019	Cat	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-1091.53055854; Eh
	17-Jul-2019	COD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G* GEN*	-312.015145030; Eh
	17-Jul-2019	Fluorobenzene	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-331.465126634; Eh
	17-Jul-2019	Int1_1_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-961.914571172; Eh
	17-Jul-2019	Int1_2_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-961.917007379; Eh
	17-Jul-2019	Int2_1mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-1155.31795408; Eh
	17-Jul-2019	NaFBOPh	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-862.448698432; Eh
	17-Jul-2019	NiCOD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-793.391945770; Eh
	17-Jul-2019	phosphine	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-461.103298962; Eh
	17-Jul-2019	Post-TS2-adduct-mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.82202830; Eh
	17-Jul-2019	Prev_TS2_adduct_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.81929564; Eh
	17-Jul-2019	TS-iso1_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-961.912128846; Eh
	17-Jul-2019	TS1_bis	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-1422.98739769; Eh
	17-Jul-2019	TS2_adduct_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.78088217; Eh
	17-Jul-2019	TS3_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-1155.32223413; Eh

Showing results 1 to 18 of 18