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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2019	G32_G89_OH72	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.43376246; Eh
	24-Apr-2019	G32_G89_OH92	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.44802623; Eh
	24-Apr-2019	G32_G89_OH93	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.45027961; Eh
	24-Apr-2019	G32_G89_OH81	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.46266350; Eh
	19-Mar-2021	Na2-I1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3414.59733711; Eh
	19-Mar-2021	Na2-R	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2686.37109068; Eh
	7-May-2021	/NBO pOiPr_Ei_TS_NBO	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	7-May-2021	/NBO pOEt_Ei_TS_NBO	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	7-May-2021	/NBO pOtBu_Ei_TS_NBO	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	17-Mar-2021	/GeomOpt_wB97XD M77	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-2002.8302739; Eh

Results 101-110 of 764 (Search time: 0.001 seconds).