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

Search

previous
1
...
1796
1797
1798
1799
1800
1801
1802
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/Aniline/Catalyzed/Water/2_Water/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-821.990039150; Eh
	5-Feb-2019	TS-I4-I5-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-964.534511936; Eh
	5-Feb-2019	I7-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD	-158.820851182; Eh
	5-Feb-2019	TS-I1-I2-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1053.81843075; Eh
	5-Feb-2019	I1-Cu-NBO	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-872.562424067; Eh
	31-Jul-2015	/Aniline/Reactants/Aniline Aniline	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-287.500108754; Eh
	31-Jul-2015	/Aniline/Catalyzed/Water/2_Water/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	-	-	-0.472991347417; Eh
	31-Jul-2015	/Aniline/Reactants/Water Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-76.4159746493; Eh
	31-Jul-2015	/Aniline/Reactants/Carbonate Propylene_Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-381.607577481; Eh
	5-Feb-2019	I8-Cu-NBO	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-789.324230105; Eh

Results 17981-17990 of 104512 (Search time: 0.011 seconds).