ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
529
530
531
532
533
534
535
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes cchmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-406.677791119; Eh
	9-Nov-2018	/vacuum/complexes cchcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-389.554190322; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-614.194910779; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.4667768; Eh
	9-Nov-2018	/noDisp/complexes sin-nchfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-670.7399272; Eh
	9-Nov-2018	/noDisp/complexes sin-nchZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2441.9353518; Eh
	9-Nov-2018	/noDisp/complexes sin-nchnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-374.1580919; Eh
	9-Nov-2018	/vacuum/complexes bpinmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1518.66415837; Eh
	9-Nov-2018	/noDisp/complexes sin-iwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-645.4688702; Eh
	9-Nov-2018	/noDisp/complexes sin-hznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-267.6428553; Eh

Results 5311-5320 of 12842 (Search time: 0.005 seconds).