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

Search

previous
1
...
1978
1979
1980
1981
1982
1983
1984
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	-	-	-912.60976641; eV
	28-Nov-2017	ol-PtPd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-304.99711900; eV
	17-Apr-2019	/DMC_unselective_dissociation Dissociated_DMC_to_CH3_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-797.82399563; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-917.02184208; eV
	8-May-2017	Ru-1-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-363.97735931; eV
	17-Apr-2019	/DMC_unselective_dissociation Dissociated_DMC_to_CH3_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1245.39259734; eV
	23-Aug-2018	/solvation/no_solv c2h4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-32.00423703; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-915.44135236; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-915.51282380; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 Dissociated_TDA_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-1656.26361052; eV

Results 19801-19810 of 104510 (Search time: 0.011 seconds).