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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes chch2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-655.374032821; Eh
	9-Nov-2018	/vacuum/complexes fenilclmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1021.20679876; Eh
	9-Nov-2018	/vacuum/complexes cchfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-654.139638385; Eh
	9-Nov-2018	/vacuum/complexes fenilclznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-958.311322831; Eh
	9-Nov-2018	/vacuum/complexes cchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1515.88294719; Eh
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-5H2O-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-337.88805102; eV
	9-Nov-2018	/vacuum/complexes chch2ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-696.682258448; Eh
	9-Nov-2018	/vacuum/complexes fenilclauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1170.20889900; Eh
	9-Nov-2018	/vacuum/complexes fenilclnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-972.172198228; Eh
	9-Nov-2018	/vacuum/complexes chch2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-358.908217376; Eh

Results 22141-22150 of 103529 (Search time: 0.015 seconds).