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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/Acrolein_2Propenol TS_Acrolein_2Propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1131.47126375; eV
	22-Jun-2018	/Acetol_PG TS_Acet2OH_PG	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	PBE+U	-	-1146.28320506; eV
	22-Jun-2018	/12Enol_Acetol TS_12enol_acetol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.10834150; eV
	22-Jun-2018	/Gly_13Enol TS_Glyb_13enol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1152.76678684; 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	/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-Aug-2018	/slabs/islanding/ni3p1 4_81_72	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.86395657; 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
	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

Results 21061-21070 of 103542 (Search time: 0.013 seconds).