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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	gas_sp2_ts_pdpph32_c_cis2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) 6-31G(D) SDD GEN	-5003.62127768; Eh
	3-Oct-2019	thf_ts_pdpph32_sp2_s_nou_medium	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) 6-31G(D) SDD	-5003.64918176; Eh
	3-Oct-2019	gas_sp2_ts_pdpph32_s_cis2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) 6-31G(D) SDD	-5003.59708064; Eh
	3-Oct-2019	gas_sp2_ts_pdpph3_c_cis2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	GEN	-
	3-Oct-2019	gas_sp2_ts_pdpph3_c_cis	Besora, Maria	-	Single point Structure	-	-	-
	9-Nov-2018	/vacuum/complexes cltame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.933190130; Eh
	9-Nov-2018	/vacuum/complexes cnfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-670.262867230; Eh
	9-Nov-2018	/vacuum/complexes clcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-827.123396144; Eh
	9-Nov-2018	/vacuum/complexes ch3-oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-355.953892991; Eh
	9-Nov-2018	/vacuum/complexes cnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1531.97423845; Eh

Results 6911-6920 of 12842 (Search time: 0.006 seconds).