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

Search

previous
1
...
174
175
176
177
178
179
180
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jul-2015	rT1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.668548966; Eh
	14-Jul-2015	radicalH	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-0.499982889449; Eh
	24-Feb-2020	/PaperStructures/Minima Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.630034705; Eh
	8-Nov-2018	/water/complexes aq-iaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1528.0707221; Eh
	14-Jul-2015	radicalP3_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.656092385; Eh
	8-Nov-2018	/water/complexes aq-iincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-933.8692518; Eh
	8-Nov-2018	/water/complexes aq-ihgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-188.1350029; Eh
	8-Nov-2018	/water/complexes aq-nchaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1609.8594837; Eh
	8-Nov-2018	/water/complexes aq-ncsaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.6625165; Eh
	8-Nov-2018	/water/complexes aq-nchincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1015.6525428; Eh

Results 1761-1770 of 12842 (Search time: 0.004 seconds).