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

Search

previous
1
...
9088
9089
9090
9091
9092
9093
9094
...
9174
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_cnoac_an_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-360.2631038; Eh
	28-Aug-2024	SP_ar3m2obn	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1731.6085155; Eh
	28-Aug-2024	cnoac_rad_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-359.983290569; Eh
	28-Aug-2024	ar3no2_cat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1181.23526798; Eh
	28-Aug-2024	obn_rad_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-385.437685028; Eh
	28-Aug-2024	obn_an	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-385.574981019; Eh
	28-Aug-2024	ar3m2obn_meoh_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1846.89837103; Eh
	28-Aug-2024	SP_ar3no2obn_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1567.3583956; Eh
	28-Aug-2024	uvvisfrag1_radb3lyp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP; TD-FC	6-311+G(D,P)	-1345.9071691; Eh
	28-Aug-2024	SP_ar3no2obn_meoh	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1683.1479476; Eh

Results 90901-90910 of 91738 (Search time: 0.053 seconds).