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

Search

previous
1
...
10
11
12
13
14
15
16
...
53
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Apr-2019	/DMC_selective_dissociation TS_dissociation_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1244.86858910; eV
	17-Apr-2019	/DMC_selective_dissociation TS_dissociation_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-797.33200592; 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	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Improved Dimer Method	DFT	-	-1656.22837727; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1292.75954584; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1208.16560977; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TSmethox_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1247.89104093; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TSmethox_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1695.60216475; eV
	8-May-2017	Ru-2-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-365.77097287; eV
	8-May-2017	Ru-6-11	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-351.74918079; eV

Results 121-130 of 521 (Search time: 0.003 seconds).