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

Search

previous
1
...
49
50
51
52
53
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au100CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-1598.24438467; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_2_methylation	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2045.51466250; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_methylation_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2045.61923029; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_1	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Improved Dimer Method	DFT	-	-1332.43311677; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_methoxycarb_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2046.34047894; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2007.07064471; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_DMC_diss_Au111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-1511.01172728; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_diss_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Improved Dimer Method	DFT	-	-2007.15080640; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-1597.80502380; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_1	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Improved Dimer Method	DFT	-	-2006.41948405; eV

Results 511-520 of 521 (Search time: 0.001 seconds).