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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 chch2ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-982.098966083; Eh
	9-Nov-2018	/vacuum/complexes cchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-980.866595280; Eh
	9-Nov-2018	/vacuum/complexes chch2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-549.118621747; Eh
	9-Nov-2018	/vacuum/complexes chch2cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-390.796506012; Eh
	9-Nov-2018	/vacuum/complexes bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-725.143353535; Eh
	9-Nov-2018	/vacuum/complexes cchrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1767.02217569; Eh
	9-Nov-2018	/vacuum/complexes chch2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1701.34491299; Eh
	9-Nov-2018	/vacuum/complexes cchoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-392.767054985; Eh
	9-Nov-2018	/vacuum/complexes cchalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1700.11036886; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.81579069; eV

Results 21461-21470 of 103542 (Search time: 0.015 seconds).