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

Search

previous
1
...
123
124
125
126
127
128
129
...
209
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/M06_calculations bh_int2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-615.295723485; Eh
	13-Jul-2018	/M06_calculations bh_c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.18271037; Eh
	13-Jul-2018	/M06_calculations bh_HOAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-229.041449914; Eh
	13-Jul-2018	/M06_calculations bh_c5_O2_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G**	-1620.80162076; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-3-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1737.98290065; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1851.00326084; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-yne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78657929; Eh
	13-Jul-2018	/M06_calculations bh_c4_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1699.55852214; Eh
	13-Jul-2018	/M06_calculations bh_allylacetate	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-345.667202520; Eh
	13-Jul-2018	/M06_calculations bh_c5_O2_S_H	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1849.88200163; Eh

Results 1251-1260 of 2088 (Search time: 0.003 seconds).