ioChem-BD Browse - Universidad Autonoma de Madrid: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
29
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Mar-2018	/Fragments-Freq H2C3_q0_m3-1	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-115.374250221; Eh
	11-Mar-2018	/Fragments-Freq H2C4_q0_m3-3	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-153.405733686; Eh
	11-Mar-2018	/Fragments-Freq HCO_q0_m2-7	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-113.891331131; Eh
	11-Mar-2018	/Fragments-Freq HCO_q0_m2-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-113.824290645; Eh
	11-Mar-2018	/Fragments-Freq HCO_q0_m4-12	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-113.707664711; Eh
	11-Mar-2018	/Fragments-Freq HO_q0_m2-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-75.7624123365; Eh
	11-Mar-2018	/Fragments-Freq H2C4_q0_m3-5	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-153.283323637; Eh
	11-Mar-2018	/Fragments-Freq H2C4_q0_m3-4	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-153.410392657; Eh
	11-Mar-2018	/Fragments-Freq H2C4_q0_m3-10	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-153.394923124; Eh
	11-Mar-2018	/Fragments-Freq H2C4_q0_m3-11	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-153.380808103; Eh

Results 61-70 of 289 (Search time: 0.001 seconds).