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

Search

previous
1
...
2752
2753
2754
2755
2756
2757
2758
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/solvation//solvation solv c2h2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-23.09159894; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol 6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-924.96713168; eV
	23-Jul-2018	/Isobutene/Pt/111/1H C4H9T+H	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-350.43887624; eV
	23-Aug-2018	/slabs/segregation/ni5p4 layer8_Ni_19_P_195	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1283.68240700; eV
	23-Aug-2018	/solvation//solvation solv 1_hexyne	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-89.77716476; eV
	1-Oct-2019	/TS/LimRelax AlRot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-183.65573730; eV
	23-Aug-2018	/slabs/islanding/ni3p1 3_81_66	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.86434712; eV
	22-Aug-2018	/ads_sn2_Cu111 nh3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-243.90102278; eV
	22-Aug-2018	/ads_sn2_Cu111 h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-227.46019314; eV
	22-Aug-2018	/ads_sn2_Cu111 is	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-273.82057603; eV

Results 27541-27550 of 104510 (Search time: 0.032 seconds).