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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Nov-2018	/vacuum/complexes clcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-773.057366756; Eh
9-Nov-2018	/vacuum/complexes closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-776.221886621; Eh
9-Nov-2018	/vacuum/complexes ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1730.17121754; Eh
9-Nov-2018	/vacuum/complexes ch3-mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1304.56985913; Eh
9-Nov-2018	/vacuum/complexes brwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-647.442101117; Eh
9-Nov-2018	/vacuum/complexes brrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-505.554029480; Eh
9-Nov-2018	/vacuum/metal_frag ircoph32b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-903.837591992; Eh
9-Nov-2018	/vacuum/ligands chch2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-77.9302674723; Eh
9-Nov-2018	/vacuum/ligands nme3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-174.485432500; Eh
9-Nov-2018	/vacuum/ligands ib3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	sdd	-11.5189096285; Eh

Results 621-630 of 666 (Search time: 0.003 seconds).