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

Search

previous
1
...
1676
1677
1678
1679
1680
1681
1682
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pt-3-30	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-322.02164727; eV
	8-May-2017	Ru-34308	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-380.09359372; eV
	10-May-2017	Ru-CS-TS-H3CO-H2CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-449.81209625; eV
	18-Jul-2018	T1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g; lanl2dz*	-4686.80321249; Eh
	8-May-2017	Pt-3-31	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-322.27266692; eV
	8-May-2017	Ru-34226	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-373.42887229; eV
	8-May-2017	Ru-34228	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-373.00797000; eV
	8-May-2017	Ru-33113	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-361.98796456; eV
	8-May-2017	Ru-35303	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-384.11795118; eV
	8-May-2017	Pt-3-20	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-328.00263301; eV

Results 16781-16790 of 104512 (Search time: 0.011 seconds).