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

Search

previous
1
...
2541
2542
2543
2544
2545
2546
2547
...
9372
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ol-AuRu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-214.15481860; eV
	28-Nov-2017	ol-AuOs-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-234.93925460; eV
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.25959811; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66516306; Eh
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S6H2 BB2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.90594271; Eh
	19-Sep-2018	/2_electrons/1_H+/W2O2S8H B3	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.25972453; Eh
	19-Sep-2018	/2_electrons/1_H+/W2O2S8H A1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.25247874; Eh
	19-Sep-2018	/2_electrons/1_H+/W2O2S8H B1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.27247570; Eh
	19-Sep-2018	/2_electrons/1_H+/W2O2S8H C	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.22197713; Eh
	25-Jun-2024	/Intermediates/Ir/100 C4H9NO_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-482.64624251; eV

Results 25431-25440 of 93712 (Search time: 0.017 seconds).