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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-cowco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-747.2536458; Eh
	9-Nov-2018	/vacuum/complexes tiofenosnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-675.908640481; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_s_translliulliu	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28393345; Eh
	9-Nov-2018	/vacuum/complexes tiofenonipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2647.02046249; Eh
	9-Nov-2018	/noDisp/complexes sin-cnptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.5558193; Eh
	9-Nov-2018	/vacuum/complexes sime3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-782.525350536; Eh
	9-Nov-2018	/noDisp/complexes sin-cnpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-907.6998906; Eh
	9-Nov-2018	/noDisp/complexes sin-cnpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.0246446; Eh
	9-Nov-2018	/vacuum/complexes tiofenocuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-790.283779749; Eh
	9-Nov-2018	/vacuum/complexes smecucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-728.449349718; Eh

Results 5361-5370 of 12842 (Search time: 0.006 seconds).