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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ncspdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1305.92389051; Eh
	9-Nov-2018	/vacuum/complexes nh3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.321997959; Eh
	3-Oct-2019	water_sp2_ts_pdpph3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) 6-31G(D) SDD GEN	-3967.31950243; Eh
	3-Oct-2019	thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28176806; Eh
	9-Nov-2018	/vacuum/complexes ncsfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.47699864; Eh
	9-Nov-2018	/vacuum/complexes ncsrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-983.196689123; Eh
	9-Nov-2018	/vacuum/complexes ncsnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-772.020524758; Eh
	9-Nov-2018	/vacuum/complexes ncsznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-758.141169288; Eh
	3-Oct-2019	water_sp2_ts_pdpf32_c_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-4213.01571294; Eh
	3-Oct-2019	water_ts_sp2_pdpph3_s_trans_medium2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) 6-31G(D) SDD	-5003.65877110; Eh

Results 6281-6290 of 12842 (Search time: 0.005 seconds).